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

C15H10FN3OS — CID 10402473

IUPAC2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1F
InChIInChI=1S/C15H10FN3OS/c16-12-4-2-1-3-11(12)14(20)19-15-18-13(9-21-15)10-5-7-17-8-6-10/h1-9H,(H,18,19,20)
InChIKeyOVEKVWJGWABLNU-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.60
Rot. Bonds3

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

2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 10402473) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID10402473
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1F
InChIInChI=1S/C15H10FN3OS/c16-12-4-2-1-3-11(12)14(20)19-15-18-13(9-21-15)10-5-7-17-8-6-10/h1-9H,(H,18,19,20)
InChIKeyOVEKVWJGWABLNU-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 10402473) is 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OVEKVWJGWABLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-12-4-2-1-3-11(12)14(20)19-15-18-13(9-21-15)10-5-7-17-8-6-10/h1-9H,(H,18,19,20).
What are the key properties of 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 10402473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).