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

C18H14F2N2OS — CID 7930653

IUPAC2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCc1ccc(Cn2ccs/c2=N/C(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H14F2N2OS/c1-12-2-4-13(5-3-12)11-22-8-9-24-18(22)21-17(23)15-7-6-14(19)10-16(15)20/h2-10H,11H2,1H3/b21-18+
InChIKeyYIMCQMWLSRIEKR-DYTRJAOYSA-N
MW344.39 g/mol
LogP3.93
Rot. Bonds3

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

2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 7930653) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID7930653
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCc1ccc(Cn2ccs/c2=N/C(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H14F2N2OS/c1-12-2-4-13(5-3-12)11-22-8-9-24-18(22)21-17(23)15-7-6-14(19)10-16(15)20/h2-10H,11H2,1H3/b21-18+
InChIKeyYIMCQMWLSRIEKR-DYTRJAOYSA-N
XLogP3.93
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 38162185
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 16546204
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide
CID 24660441
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 16560809
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558
cis-(1S,2R)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-nitrocyclopropane-1-carboxamide
CID 51950675
cis-(1R,2S)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-nitrocyclopropane-1-carboxamide
CID 51950672
4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 93306639
5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
CID 16582598
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 18288477

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide (CID 7930653) is 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide is Cc1ccc(Cn2ccs/c2=N/C(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is YIMCQMWLSRIEKR-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c1-12-2-4-13(5-3-12)11-22-8-9-24-18(22)21-17(23)15-7-6-14(19)10-16(15)20/h2-10H,11H2,1H3/b21-18+.
What are the key properties of 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide?
2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 344.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 7930653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).