N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

C17H13N3O2S — CID 43952217

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c[nH]c4ccccc34)sc2c1
InChIInChI=1S/C17H13N3O2S/c1-22-10-6-7-14-15(8-10)23-17(19-14)20-16(21)12-9-18-13-5-3-2-4-11(12)13/h2-9,18H,1H3,(H,19,20,21)
InChIKeyQCMGWQLOEHPUBM-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.04
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (PubChem CID 43952217) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
PubChem CID43952217
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c[nH]c4ccccc34)sc2c1
InChIInChI=1S/C17H13N3O2S/c1-22-10-6-7-14-15(8-10)23-17(19-14)20-16(21)12-9-18-13-5-3-2-4-11(12)13/h2-9,18H,1H3,(H,19,20,21)
InChIKeyQCMGWQLOEHPUBM-UHFFFAOYSA-N
XLogP4.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43989177
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222
2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide
CID 7872514
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
CID 110701475
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyltriazole-4-carboxamide
CID 43066318

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (CID 43952217) is N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is COc1ccc2nc(NC(=O)c3c[nH]c4ccccc34)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is QCMGWQLOEHPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-22-10-6-7-14-15(8-10)23-17(19-14)20-16(21)12-9-18-13-5-3-2-4-11(12)13/h2-9,18H,1H3,(H,19,20,21).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43952217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).