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

C14H13N3OS — CID 47363953

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1nc(CNC(=O)c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C14H13N3OS/c1-9-17-10(8-19-9)6-16-14(18)12-7-15-13-5-3-2-4-11(12)13/h2-5,7-8,15H,6H2,1H3,(H,16,18)
InChIKeyUZQBKIFBJPXEFF-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.86
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 47363953) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
PubChem CID47363953
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1nc(CNC(=O)c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C14H13N3OS/c1-9-17-10(8-19-9)6-16-14(18)12-7-15-13-5-3-2-4-11(12)13/h2-5,7-8,15H,6H2,1H3,(H,16,18)
InChIKeyUZQBKIFBJPXEFF-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide (CID 47363953) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide is Cc1nc(CNC(=O)c2c[nH]c3ccccc23)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is UZQBKIFBJPXEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-17-10(8-19-9)6-16-14(18)12-7-15-13-5-3-2-4-11(12)13/h2-5,7-8,15H,6H2,1H3,(H,16,18).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-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-3-carboxamide is sourced from PubChem (CID 47363953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).