4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide

C12H11FN2OS — CID 104579063

IUPAC4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCc1cncs1
InChIInChI=1S/C12H11FN2OS/c1-8-4-9(13)2-3-11(8)12(16)15-6-10-5-14-7-17-10/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyOFNIQSZRDLLHCD-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.52
Rot. Bonds3

About 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide

4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 104579063) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID104579063
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCc1cncs1
InChIInChI=1S/C12H11FN2OS/c1-8-4-9(13)2-3-11(8)12(16)15-6-10-5-14-7-17-10/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyOFNIQSZRDLLHCD-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)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

6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 104579123
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112702660
4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429011
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 172673401
3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429009
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 104579063) is 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide is Cc1cc(F)ccc1C(=O)NCc1cncs1.
What is the InChIKey of 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is OFNIQSZRDLLHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-4-9(13)2-3-11(8)12(16)15-6-10-5-14-7-17-10/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide?
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 104579063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).