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

C17H13FN2OS — CID 2671879

IUPAC2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2ccccc2F)c2ccccc2)n1
InChIInChI=1S/C17H13FN2OS/c1-12-11-22-17(19-12)20(13-7-3-2-4-8-13)16(21)14-9-5-6-10-15(14)18/h2-11H,1H3
InChIKeyFZWDMJPYLOYFAW-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.57
Rot. Bonds3

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

2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide (PubChem CID 2671879) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
PubChem CID2671879
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2ccccc2F)c2ccccc2)n1
InChIInChI=1S/C17H13FN2OS/c1-12-11-22-17(19-12)20(13-7-3-2-4-8-13)16(21)14-9-5-6-10-15(14)18/h2-11H,1H3
InChIKeyFZWDMJPYLOYFAW-UHFFFAOYSA-N
XLogP4.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The IUPAC name of 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide (CID 2671879) is 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide is Cc1csc(N(C(=O)c2ccccc2F)c2ccccc2)n1.
What is the InChIKey of 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The InChIKey is FZWDMJPYLOYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-12-11-22-17(19-12)20(13-7-3-2-4-8-13)16(21)14-9-5-6-10-15(14)18/h2-11H,1H3.
What are the key properties of 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 2671879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).