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

C15H11FN4OS — CID 16661409

IUPAC4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2cnccn2)cs1
InChIInChI=1S/C15H11FN4OS/c1-20(14(21)10-2-4-11(16)5-3-10)15-19-13(9-22-15)12-8-17-6-7-18-12/h2-9H,1H3
InChIKeyCNLCCQIYHWYAQX-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.02
Rot. Bonds3

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

4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 16661409) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID16661409
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC Name4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2cnccn2)cs1
InChIInChI=1S/C15H11FN4OS/c1-20(14(21)10-2-4-11(16)5-3-10)15-19-13(9-22-15)12-8-17-6-7-18-12/h2-9H,1H3
InChIKeyCNLCCQIYHWYAQX-UHFFFAOYSA-N
XLogP3.02
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide (CID 16661409) is 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide is CN(C(=O)c1ccc(F)cc1)c1nc(-c2cnccn2)cs1.
What is the InChIKey of 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CNLCCQIYHWYAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c1-20(14(21)10-2-4-11(16)5-3-10)15-19-13(9-22-15)12-8-17-6-7-18-12/h2-9H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide?
4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 314.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(4-pyrazin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16661409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).