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

C17H13FN2OS — CID 2986205

IUPACN-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)cs1
InChIInChI=1S/C17H13FN2OS/c1-11-19-16(10-22-11)12-5-7-13(8-6-12)17(21)20-15-4-2-3-14(18)9-15/h2-10H,1H3,(H,20,21)
InChIKeyPBCZNIRHKHYMSO-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.51
Rot. Bonds3

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

N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 2986205) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID2986205
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC NameN-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)cs1
InChIInChI=1S/C17H13FN2OS/c1-11-19-16(10-22-11)12-5-7-13(8-6-12)17(21)20-15-4-2-3-14(18)9-15/h2-10H,1H3,(H,20,21)
InChIKeyPBCZNIRHKHYMSO-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 2986205) is N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)cs1.
What is the InChIKey of N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is PBCZNIRHKHYMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11-19-16(10-22-11)12-5-7-13(8-6-12)17(21)20-15-4-2-3-14(18)9-15/h2-10H,1H3,(H,20,21).
What are the key properties of N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 2986205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).