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

C16H12FN3OS — CID 108748855

IUPAC3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(-c2ccccn2)n1)c1cccc(F)c1
InChIInChI=1S/C16H12FN3OS/c17-12-5-3-4-11(8-12)15(21)19-9-13-10-22-16(20-13)14-6-1-2-7-18-14/h1-8,10H,9H2,(H,19,21)
InChIKeyQLFOASKPOKTWEB-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.27
Rot. Bonds4

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

3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 108748855) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID108748855
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(-c2ccccn2)n1)c1cccc(F)c1
InChIInChI=1S/C16H12FN3OS/c17-12-5-3-4-11(8-12)15(21)19-9-13-10-22-16(20-13)14-6-1-2-7-18-14/h1-8,10H,9H2,(H,19,21)
InChIKeyQLFOASKPOKTWEB-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]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-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108770761
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 79759320
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770782
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 108748806
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
CID 25311503

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 108748855) is 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide is O=C(NCc1csc(-c2ccccn2)n1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is QLFOASKPOKTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-12-5-3-4-11(8-12)15(21)19-9-13-10-22-16(20-13)14-6-1-2-7-18-14/h1-8,10H,9H2,(H,19,21).
What are the key properties of 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 108748855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).