N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide

C14H13N3OS — CID 47290936

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3cc[nH]c3c2)cs1
InChIInChI=1S/C14H13N3OS/c1-9-17-12(8-19-9)7-16-14(18)11-3-2-10-4-5-15-13(10)6-11/h2-6,8,15H,7H2,1H3,(H,16,18)
InChIKeyOWNNWUPSNFQVQX-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.86
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide (PubChem CID 47290936) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
PubChem CID47290936
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3cc[nH]c3c2)cs1
InChIInChI=1S/C14H13N3OS/c1-9-17-12(8-19-9)7-16-14(18)11-3-2-10-4-5-15-13(10)6-11/h2-6,8,15H,7H2,1H3,(H,16,18)
InChIKeyOWNNWUPSNFQVQX-UHFFFAOYSA-N
XLogP2.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
N-[(5-methylpyrazin-2-yl)methyl]-1H-indole-6-carboxamide
CID 63770378
2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 60778936
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-6-carboxamide
CID 103713378
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107025625
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide (CID 47290936) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide is Cc1nc(CNC(=O)c2ccc3cc[nH]c3c2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide?
The InChIKey is OWNNWUPSNFQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-17-12(8-19-9)7-16-14(18)11-3-2-10-4-5-15-13(10)6-11/h2-6,8,15H,7H2,1H3,(H,16,18).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 47290936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).