3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide

C15H17FN2O2S — CID 71985747

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide
SMILESCc1sc(=O)n(CCC(=O)Nc2cccc(F)c2C)c1C
InChIInChI=1S/C15H17FN2O2S/c1-9-12(16)5-4-6-13(9)17-14(19)7-8-18-10(2)11(3)21-15(18)20/h4-6H,7-8H2,1-3H3,(H,17,19)
InChIKeyMEJWCVKUYNREHB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.00
Rot. Bonds4

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide (PubChem CID 71985747) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide
PubChem CID71985747
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide
SMILESCc1sc(=O)n(CCC(=O)Nc2cccc(F)c2C)c1C
InChIInChI=1S/C15H17FN2O2S/c1-9-12(16)5-4-6-13(9)17-14(19)7-8-18-10(2)11(3)21-15(18)20/h4-6H,7-8H2,1-3H3,(H,17,19)
InChIKeyMEJWCVKUYNREHB-UHFFFAOYSA-N
XLogP3.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)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

N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 63312901
N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312237
N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036
N-(3-fluoro-2-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119920472
N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 119527916
N-(3-fluoro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 17186518
3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 55204651
4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 63324007
N-(2,6-difluorophenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
CID 84578083
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide
CID 120759781
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide (CID 71985747) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide is Cc1sc(=O)n(CCC(=O)Nc2cccc(F)c2C)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide?
The InChIKey is MEJWCVKUYNREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-12(16)5-4-6-13(9)17-14(19)7-8-18-10(2)11(3)21-15(18)20/h4-6H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 71985747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).