2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C17H12N4OS — CID 58279305

IUPAC2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccncc1)C2
InChIInChI=1S/C17H12N4OS/c22-16(21-17-19-8-9-23-17)13-3-1-2-12-10-14(20-15(12)13)11-4-6-18-7-5-11/h1-9H,10H2,(H,19,21,22)
InChIKeyQFFQPGIOMYFUGJ-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.47
Rot. Bonds3

About 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58279305) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58279305
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccncc1)C2
InChIInChI=1S/C17H12N4OS/c22-16(21-17-19-8-9-23-17)13-3-1-2-12-10-14(20-15(12)13)11-4-6-18-7-5-11/h1-9H,10H2,(H,19,21,22)
InChIKeyQFFQPGIOMYFUGJ-UHFFFAOYSA-N
XLogP3.47
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
CID 58278699
2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279011
2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278747
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279339
2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278966
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278852
N-(1,3-thiazol-2-yl)phenazine-1-carboxamide
CID 3713587
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390
2-[3-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiaborol-2-yl)-3H-indole-7-carboxamide
CID 58279333
potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane
CID 160800996
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58279305) is 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccncc1)C2.
What is the InChIKey of 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is QFFQPGIOMYFUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c22-16(21-17-19-8-9-23-17)13-3-1-2-12-10-14(20-15(12)13)11-4-6-18-7-5-11/h1-9H,10H2,(H,19,21,22).
What are the key properties of 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58279305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).