N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide

C14H13N3OS — CID 63283681

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
SMILESCc1ncsc1CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H13N3OS/c1-9-13(19-8-17-9)7-16-14(18)11-3-2-4-12-10(11)5-6-15-12/h2-6,8,15H,7H2,1H3,(H,16,18)
InChIKeyMGKNUMPQRQFUDY-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.86
Rot. Bonds3

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide (PubChem CID 63283681) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
PubChem CID63283681
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
SMILESCc1ncsc1CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H13N3OS/c1-9-13(19-8-17-9)7-16-14(18)11-3-2-4-12-10(11)5-6-15-12/h2-6,8,15H,7H2,1H3,(H,16,18)
InChIKeyMGKNUMPQRQFUDY-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 ≤ 500271.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473
N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
CID 61285056
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-indole-4-carboxamide
CID 103721276
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
CID 86723918
N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide
CID 54899979
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-amino-2-ethylbutyl)-1H-indole-4-carboxamide
CID 115305746
1H-indole-4-carbohydrazide
CID 43316644
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide (CID 63283681) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide is Cc1ncsc1CNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide?
The InChIKey is MGKNUMPQRQFUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-13(19-8-17-9)7-16-14(18)11-3-2-4-12-10(11)5-6-15-12/h2-6,8,15H,7H2,1H3,(H,16,18).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide has a molecular weight of 271.34 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-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 63283681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).