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

C15H15N3O2S — CID 103775042

IUPAC2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3csc(=O)[nH]3)cc2c1C
InChIInChI=1S/C15H15N3O2S/c1-8-9(2)17-13-4-3-10(5-12(8)13)14(19)16-6-11-7-21-15(20)18-11/h3-5,7,17H,6H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyHXMMVBXHTPJMCP-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.46
Rot. Bonds3

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

2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide (PubChem CID 103775042) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
PubChem CID103775042
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3csc(=O)[nH]3)cc2c1C
InChIInChI=1S/C15H15N3O2S/c1-8-9(2)17-13-4-3-10(5-12(8)13)14(19)16-6-11-7-21-15(20)18-11/h3-5,7,17H,6H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyHXMMVBXHTPJMCP-UHFFFAOYSA-N
XLogP2.46
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.46
H-Bond Donors ≤ 53
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-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 60778936
3-hydroxy-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862858
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383401
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103775053
3-chloro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862828
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide
CID 103939765
3-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383203
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide (CID 103775042) is 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCc3csc(=O)[nH]3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide?
The InChIKey is HXMMVBXHTPJMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-8-9(2)17-13-4-3-10(5-12(8)13)14(19)16-6-11-7-21-15(20)18-11/h3-5,7,17H,6H2,1-2H3,(H,16,19)(H,18,20).
What are the key properties of 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 103775042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).