1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone

C20H17ClN4OS — CID 139972673

IUPAC1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone
SMILESCC(=O)n1c(C)c(-c2csc(Nc3ccc(C)nc3)n2)c2cc(Cl)ccc21
InChIInChI=1S/C20H17ClN4OS/c1-11-4-6-15(9-22-11)23-20-24-17(10-27-20)19-12(2)25(13(3)26)18-7-5-14(21)8-16(18)19/h4-10H,1-3H3,(H,23,24)
InChIKeyANOOCSLHGWAGOW-UHFFFAOYSA-N
MW396.90 g/mol
LogP5.83
Rot. Bonds3

About 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone

1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone (PubChem CID 139972673) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone
PubChem CID139972673
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC Name1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone
SMILESCC(=O)n1c(C)c(-c2csc(Nc3ccc(C)nc3)n2)c2cc(Cl)ccc21
InChIInChI=1S/C20H17ClN4OS/c1-11-4-6-15(9-22-11)23-20-24-17(10-27-20)19-12(2)25(13(3)26)18-7-5-14(21)8-16(18)19/h4-10H,1-3H3,(H,23,24)
InChIKeyANOOCSLHGWAGOW-UHFFFAOYSA-N
XLogP5.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[4-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564308
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30289420
4-(4-chlorophenyl)-N-(6-chloro-3-pyridinyl)-1,3-thiazol-2-amine
CID 166340316
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 139972645
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 4890388
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564276
6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one
CID 53348929
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
N-[[4-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343278
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone?
The IUPAC name of 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone (CID 139972673) is 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone?
The canonical SMILES for 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone is CC(=O)n1c(C)c(-c2csc(Nc3ccc(C)nc3)n2)c2cc(Cl)ccc21.
What is the InChIKey of 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone?
The InChIKey is ANOOCSLHGWAGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-11-4-6-15(9-22-11)23-20-24-17(10-27-20)19-12(2)25(13(3)26)18-7-5-14(21)8-16(18)19/h4-10H,1-3H3,(H,23,24).
What are the key properties of 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone?
1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone has a molecular weight of 396.90 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone is sourced from PubChem (CID 139972673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).