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

C16H17N3OS — CID 60778936

IUPAC2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cs1
InChIInChI=1S/C16H17N3OS/c1-9-10(2)18-15-5-4-12(6-14(9)15)16(20)17-7-13-8-21-11(3)19-13/h4-6,8,18H,7H2,1-3H3,(H,17,20)
InChIKeyMKJLOJGGLRCFRO-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.48
Rot. Bonds3

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

2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide (PubChem CID 60778936) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
PubChem CID60778936
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cs1
InChIInChI=1S/C16H17N3OS/c1-9-10(2)18-15-5-4-12(6-14(9)15)16(20)17-7-13-8-21-11(3)19-13/h4-6,8,18H,7H2,1-3H3,(H,17,20)
InChIKeyMKJLOJGGLRCFRO-UHFFFAOYSA-N
XLogP3.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 47290936
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide
CID 103939765
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107025625

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide (CID 60778936) is 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide is Cc1nc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cs1.
What is the InChIKey of 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide?
The InChIKey is MKJLOJGGLRCFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-9-10(2)18-15-5-4-12(6-14(9)15)16(20)17-7-13-8-21-11(3)19-13/h4-6,8,18H,7H2,1-3H3,(H,17,20).
What are the key properties of 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 60778936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).