N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide

C14H16N2OS — CID 17404860

IUPACN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1ncc(Cc2cccc(C)c2)s1
InChIInChI=1S/C14H16N2OS/c1-3-13(17)16-14-15-9-12(18-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyIAQJAQIBTUPSLG-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.39
Rot. Bonds4

About N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 17404860) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID17404860
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1ncc(Cc2cccc(C)c2)s1
InChIInChI=1S/C14H16N2OS/c1-3-13(17)16-14-15-9-12(18-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyIAQJAQIBTUPSLG-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827605
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 17408346
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
2-[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30136834
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17423794
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 45479114
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 17404860) is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1ncc(Cc2cccc(C)c2)s1.
What is the InChIKey of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is IAQJAQIBTUPSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-13(17)16-14-15-9-12(18-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 260.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 17404860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).