2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C17H13FN2OS — CID 3783920

IUPAC2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H13FN2OS/c18-13-6-8-14(9-7-13)19-17(21)15-11-22-16(20-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)
InChIKeyIFLSPKSCDWIOKZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.13
Rot. Bonds4

About 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3783920) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID3783920
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H13FN2OS/c18-13-6-8-14(9-7-13)19-17(21)15-11-22-16(20-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)
InChIKeyIFLSPKSCDWIOKZ-UHFFFAOYSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 3783920) is 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IFLSPKSCDWIOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-13-6-8-14(9-7-13)19-17(21)15-11-22-16(20-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21).
What are the key properties of 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3783920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).