N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide

C16H17N3OS — CID 122570183

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide
SMILESCCc1nc(C)c(CNC(=O)c2cccc3cc[nH]c23)s1
InChIInChI=1S/C16H17N3OS/c1-3-14-19-10(2)13(21-14)9-18-16(20)12-6-4-5-11-7-8-17-15(11)12/h4-8,17H,3,9H2,1-2H3,(H,18,20)
InChIKeyQKHGCAFQCRLWMS-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.43
Rot. Bonds4

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide (PubChem CID 122570183) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide
PubChem CID122570183
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide
SMILESCCc1nc(C)c(CNC(=O)c2cccc3cc[nH]c23)s1
InChIInChI=1S/C16H17N3OS/c1-3-14-19-10(2)13(21-14)9-18-16(20)12-6-4-5-11-7-8-17-15(11)12/h4-8,17H,3,9H2,1-2H3,(H,18,20)
InChIKeyQKHGCAFQCRLWMS-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103722337
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103706853
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 112529888
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-7-carboxamide
CID 103713426
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322
N-(furan-3-ylmethyl)-1H-indole-7-carboxamide
CID 115659835
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
CID 103709293
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
N-(2-methyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 79044351
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
2-ethoxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyridine-3-carboxamide
CID 91764651

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide (CID 122570183) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide is CCc1nc(C)c(CNC(=O)c2cccc3cc[nH]c23)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide?
The InChIKey is QKHGCAFQCRLWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-14-19-10(2)13(21-14)9-18-16(20)12-6-4-5-11-7-8-17-15(11)12/h4-8,17H,3,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 122570183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).