82M

N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide



Chemical Component Summary

NameN-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide
Identifiers~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide
FormulaC18 H18 Cl F N4 O2 S
Molecular Weight408.878
TypeNON-POLYMER
Isomeric SMILESCc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO
InChIInChI=1S/C18H18ClFN4O2S/c1-9-16(8-25)27-18(22-9)15(7-21)24-17(26)14-5-4-13(23-14)10-2-3-11(19)12(20)6-10/h2-6,15,23,25H,7-8,21H2,1H3,(H,24,26)/t15-/m0/s1
InChIKeyTYOUIZRAPWQCSE-HNNXBMFYSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count1
Bond Count47
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 124222446
ChEMBL CHEMBL3964137