4-methyl-N-propyl-1,3-thiazole-2-carboxamide

C8H12N2OS — CID 110696075

IUPAC4-methyl-N-propyl-1,3-thiazole-2-carboxamide
SMILESCCCNC(=O)c1nc(C)cs1
InChIInChI=1S/C8H12N2OS/c1-3-4-9-7(11)8-10-6(2)5-12-8/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeySIBZRFUJWJFAST-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.59
Rot. Bonds3

About 4-methyl-N-propyl-1,3-thiazole-2-carboxamide

4-methyl-N-propyl-1,3-thiazole-2-carboxamide (PubChem CID 110696075) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-methyl-N-propyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propyl-1,3-thiazole-2-carboxamide
PubChem CID110696075
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-methyl-N-propyl-1,3-thiazole-2-carboxamide
SMILESCCCNC(=O)c1nc(C)cs1
InChIInChI=1S/C8H12N2OS/c1-3-4-9-7(11)8-10-6(2)5-12-8/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeySIBZRFUJWJFAST-UHFFFAOYSA-N
XLogP1.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide
CID 139017312
1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 20560347
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 122565410
2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696716
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-propyl-1,3-thiazole-2-carboxamide (CID 110696075) is 4-methyl-N-propyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-propyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-propyl-1,3-thiazole-2-carboxamide is CCCNC(=O)c1nc(C)cs1.
What is the InChIKey of 4-methyl-N-propyl-1,3-thiazole-2-carboxamide?
The InChIKey is SIBZRFUJWJFAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-4-9-7(11)8-10-6(2)5-12-8/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 4-methyl-N-propyl-1,3-thiazole-2-carboxamide?
4-methyl-N-propyl-1,3-thiazole-2-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).