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

C17H13FN2OS — CID 5272559

IUPACN-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C17H13FN2OS/c18-15-3-1-2-12(8-15)9-19-17(21)14-6-4-13(5-7-14)16-10-22-11-20-16/h1-8,10-11H,9H2,(H,19,21)
InChIKeyXOOANFPGFXBOKO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.88
Rot. Bonds4

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

N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 5272559) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
PubChem CID5272559
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C17H13FN2OS/c18-15-3-1-2-12(8-15)9-19-17(21)14-6-4-13(5-7-14)16-10-22-11-20-16/h1-8,10-11H,9H2,(H,19,21)
InChIKeyXOOANFPGFXBOKO-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide (CID 5272559) is N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide is O=C(NCc1cccc(F)c1)c1ccc(-c2cscn2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is XOOANFPGFXBOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-15-3-1-2-12(8-15)9-19-17(21)14-6-4-13(5-7-14)16-10-22-11-20-16/h1-8,10-11H,9H2,(H,19,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide?
N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 5272559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).