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

C14H16N2OS — CID 110647228

IUPAC5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1nc(-c2ccccc2)sc1C
InChIInChI=1S/C14H16N2OS/c1-3-9-15-13(17)12-10(2)18-14(16-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17)
InChIKeyDBKMWHVIQZLYSM-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.26
Rot. Bonds4

About 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide

5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 110647228) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID110647228
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1nc(-c2ccccc2)sc1C
InChIInChI=1S/C14H16N2OS/c1-3-9-15-13(17)12-10(2)18-14(16-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17)
InChIKeyDBKMWHVIQZLYSM-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 110649271
2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 110342379
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650287
4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892921
N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650217
methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110650599
2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 110342389
2-(furan-2-yl)-5-methyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55893940
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone
CID 110648378
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110527260

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide (CID 110647228) is 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1nc(-c2ccccc2)sc1C.
What is the InChIKey of 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is DBKMWHVIQZLYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-9-15-13(17)12-10(2)18-14(16-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide?
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110647228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).