6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide

C13H10ClN3OS — CID 86768422

IUPAC6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2ccc(Cl)cc2[nH]1)c1nccs1
InChIInChI=1S/C13H10ClN3OS/c1-17(13-15-4-5-19-13)12(18)11-6-8-2-3-9(14)7-10(8)16-11/h2-7,16H,1H3
InChIKeyWKNPMHILCNEXLF-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.55
Rot. Bonds2

About 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide

6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 86768422) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID86768422
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2ccc(Cl)cc2[nH]1)c1nccs1
InChIInChI=1S/C13H10ClN3OS/c1-17(13-15-4-5-19-13)12(18)11-6-8-2-3-9(14)7-10(8)16-11/h2-7,16H,1H3
InChIKeyWKNPMHILCNEXLF-UHFFFAOYSA-N
XLogP3.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491
6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
CID 111695370
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 86930386
6-chloro-N-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indole-2-carboxamide
CID 100630533
(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide
CID 46225340
2,6-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723339
2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 47182345

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide (CID 86768422) is 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide is CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)c1nccs1.
What is the InChIKey of 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is WKNPMHILCNEXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-17(13-15-4-5-19-13)12(18)11-6-8-2-3-9(14)7-10(8)16-11/h2-7,16H,1H3.
What are the key properties of 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 291.76 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 86768422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).