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

C15H15N3OS — CID 63022253

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
SMILESCc1csc(C(C)NC(=O)c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C15H15N3OS/c1-9-8-20-15(17-9)10(2)18-14(19)12-4-3-11-5-6-16-13(11)7-12/h3-8,10,16H,1-2H3,(H,18,19)
InChIKeyJTZRKPHVQVMADC-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.42
Rot. Bonds3

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

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide (PubChem CID 63022253) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
PubChem CID63022253
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
SMILESCc1csc(C(C)NC(=O)c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C15H15N3OS/c1-9-8-20-15(17-9)10(2)18-14(19)12-4-3-11-5-6-16-13(11)7-12/h3-8,10,16H,1-2H3,(H,18,19)
InChIKeyJTZRKPHVQVMADC-UHFFFAOYSA-N
XLogP3.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103956894
N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
CID 47190593
2-[1-(1H-indole-5-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 86784879
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 95894287
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 124577149
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 47290936
5-(3-aminoprop-1-ynyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79684443
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide (CID 63022253) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide is Cc1csc(C(C)NC(=O)c2ccc3cc[nH]c3c2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide?
The InChIKey is JTZRKPHVQVMADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-8-20-15(17-9)10(2)18-14(19)12-4-3-11-5-6-16-13(11)7-12/h3-8,10,16H,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 63022253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).