2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

C17H12F2N2OS — CID 46667765

IUPAC2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(F)ccc3F)n2)cc1
InChIInChI=1S/C17H12F2N2OS/c1-10-2-4-11(5-3-10)15-9-23-17(20-15)21-16(22)13-8-12(18)6-7-14(13)19/h2-9H,1H3,(H,20,21,22)
InChIKeyJAVPDSPOYYUNGA-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.65
Rot. Bonds3

About 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 46667765) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID46667765
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(F)ccc3F)n2)cc1
InChIInChI=1S/C17H12F2N2OS/c1-10-2-4-11(5-3-10)15-9-23-17(20-15)21-16(22)13-8-12(18)6-7-14(13)19/h2-9H,1H3,(H,20,21,22)
InChIKeyJAVPDSPOYYUNGA-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
6-fluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78904810
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 32622565
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
CID 4637733
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 3257856
2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8918311

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 46667765) is 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)c3cc(F)ccc3F)n2)cc1.
What is the InChIKey of 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JAVPDSPOYYUNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c1-10-2-4-11(5-3-10)15-9-23-17(20-15)21-16(22)13-8-12(18)6-7-14(13)19/h2-9H,1H3,(H,20,21,22).
What are the key properties of 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 330.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46667765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).