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

C14H13N3OS — CID 37157221

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1csc(CNC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H13N3OS/c1-9-8-19-13(16-9)7-15-14(18)12-6-10-4-2-3-5-11(10)17-12/h2-6,8,17H,7H2,1H3,(H,15,18)
InChIKeyYZAZDLQZRDSPPF-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.86
Rot. Bonds3

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 37157221) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID37157221
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1csc(CNC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H13N3OS/c1-9-8-19-13(16-9)7-15-14(18)12-6-10-4-2-3-5-11(10)17-12/h2-6,8,17H,7H2,1H3,(H,15,18)
InChIKeyYZAZDLQZRDSPPF-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

1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 71913118
N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 49346434
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60722044
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131895425
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide (CID 37157221) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide is Cc1csc(CNC(=O)c2cc3ccccc3[nH]2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is YZAZDLQZRDSPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-8-19-13(16-9)7-15-14(18)12-6-10-4-2-3-5-11(10)17-12/h2-6,8,17H,7H2,1H3,(H,15,18).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 37157221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).