N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide

C25H21FN2OS — CID 126210567

IUPACN-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide
SMILESCc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1C
InChIInChI=1S/C25H21FN2OS/c1-16-12-13-19(14-17(16)2)22-23(18-8-5-4-6-9-18)30-25(28(22)3)27-24(29)20-10-7-11-21(26)15-20/h4-15H,1-3H3/b27-25-
InChIKeyGDYAWDAZEFFXHW-RFBIWTDZSA-N
MW416.52 g/mol
LogP5.92
Rot. Bonds3

About N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide

N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide (PubChem CID 126210567) has the molecular formula C25H21FN2OS and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide
PubChem CID126210567
Molecular FormulaC25H21FN2OS
Molecular Weight416.52 g/mol
Exact Mass416.14
IUPAC NameN-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide
SMILESCc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1C
InChIInChI=1S/C25H21FN2OS/c1-16-12-13-19(14-17(16)2)22-23(18-8-5-4-6-9-18)30-25(28(22)3)27-24(29)20-10-7-11-21(26)15-20/h4-15H,1-3H3/b27-25-
InChIKeyGDYAWDAZEFFXHW-RFBIWTDZSA-N
XLogP5.92
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126213122
N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 3448125
4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 126201256
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide
CID 126203998
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 126203694
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 1021952
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885597
N-[3-(2-hydroxyethyl)-4,5-diphenyl-1,3-thiazol-2-ylidene]benzamide
CID 1008314
2-chloro-N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126198964
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151023
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-fluorobenzamide
CID 41125937
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide (CID 126210567) is N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide is Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide?
The InChIKey is GDYAWDAZEFFXHW-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H21FN2OS/c1-16-12-13-19(14-17(16)2)22-23(18-8-5-4-6-9-18)30-25(28(22)3)27-24(29)20-10-7-11-21(26)15-20/h4-15H,1-3H3/b27-25-.
What are the key properties of N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide?
N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide has a molecular weight of 416.52 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide is sourced from PubChem (CID 126210567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).