4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide

C18H15FN2OS — CID 7930627

IUPAC4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCc1ccc(Cn2ccs/c2=N/C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2OS/c1-13-2-4-14(5-3-13)12-21-10-11-23-18(21)20-17(22)15-6-8-16(19)9-7-15/h2-11H,12H2,1H3/b20-18+
InChIKeyCDEAZUMYAQZHFI-CZIZESTLSA-N
MW326.40 g/mol
LogP3.79
Rot. Bonds3

About 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide

4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 7930627) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID7930627
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCc1ccc(Cn2ccs/c2=N/C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2OS/c1-13-2-4-14(5-3-13)12-21-10-11-23-18(21)20-17(22)15-6-8-16(19)9-7-15/h2-11H,12H2,1H3/b20-18+
InChIKeyCDEAZUMYAQZHFI-CZIZESTLSA-N
XLogP3.79
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930653
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 16546204
4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 93306639
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 18288477
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 38162185
N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide
CID 51067406
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide
CID 24660441
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 24905713
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 16560809
4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067139

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide (CID 7930627) is 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide is Cc1ccc(Cn2ccs/c2=N/C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is CDEAZUMYAQZHFI-CZIZESTLSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-13-2-4-14(5-3-13)12-21-10-11-23-18(21)20-17(22)15-6-8-16(19)9-7-15/h2-11H,12H2,1H3/b20-18+.
What are the key properties of 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide?
4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 7930627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).