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

C16H12FN3OS — CID 16661726

IUPAC4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12FN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3
InChIKeyAFGGLHHFLRPCNP-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.62
Rot. Bonds3

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

4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 16661726) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID16661726
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12FN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3
InChIKeyAFGGLHHFLRPCNP-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 16661726) is 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccncc2)cs1.
What is the InChIKey of 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AFGGLHHFLRPCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 313.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16661726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).