4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide

C17H13FN2OS — CID 2304857

IUPAC4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H13FN2OS/c1-11-15(12-5-3-2-4-6-12)19-17(22-11)20-16(21)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,20,21)
InChIKeyAAPZVQNWXHSHFQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.51
Rot. Bonds3

About 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide

4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2304857) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID2304857
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H13FN2OS/c1-11-15(12-5-3-2-4-6-12)19-17(22-11)20-16(21)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,20,21)
InChIKeyAAPZVQNWXHSHFQ-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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Related Compounds

4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 164687705
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39795631
4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 56549045
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 39323871
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide (CID 2304857) is 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AAPZVQNWXHSHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11-15(12-5-3-2-4-6-12)19-17(22-11)20-16(21)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,20,21).
What are the key properties of 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-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 4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2304857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).