3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide

C14H15FN2OS — CID 110472495

IUPAC3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCc1csc(C(C)(C)NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2OS/c1-9-8-19-13(16-9)14(2,3)17-12(18)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,17,18)
InChIKeyXRUPLBJVMPUCRI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.26
Rot. Bonds3

About 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide

3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide (PubChem CID 110472495) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide
PubChem CID110472495
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCc1csc(C(C)(C)NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2OS/c1-9-8-19-13(16-9)14(2,3)17-12(18)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,17,18)
InChIKeyXRUPLBJVMPUCRI-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide 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

3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoyl]benzoic acid
CID 97328440
4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
CID 119858740
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
CID 51099069
5-amino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
CID 120644605
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 110470336
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858736
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344
N-[2-(3-fluorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 110472200
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide
CID 97025274
2-[1-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380008

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide (CID 110472495) is 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide is Cc1csc(C(C)(C)NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide?
The InChIKey is XRUPLBJVMPUCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9-8-19-13(16-9)14(2,3)17-12(18)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide?
3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 110472495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).