N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide

C13H13FN2OS — CID 79769818

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(C)s2)c(F)c1
InChIInChI=1S/C13H13FN2OS/c1-7-4-5-10(11(14)6-7)12(17)16-13-15-8(2)9(3)18-13/h4-6H,1-3H3,(H,15,16,17)
InChIKeyGTEBFYYJMUWQTE-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.46
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide (PubChem CID 79769818) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
PubChem CID79769818
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(C)s2)c(F)c1
InChIInChI=1S/C13H13FN2OS/c1-7-4-5-10(11(14)6-7)12(17)16-13-15-8(2)9(3)18-13/h4-6H,1-3H3,(H,15,16,17)
InChIKeyGTEBFYYJMUWQTE-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
CID 17391508
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107024982
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 75400993
N-(2,5-dimethylphenyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529959
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-2-nitrobenzamide
CID 62185341
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 81226435

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide (CID 79769818) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(C)c(C)s2)c(F)c1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide?
The InChIKey is GTEBFYYJMUWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-7-4-5-10(11(14)6-7)12(17)16-13-15-8(2)9(3)18-13/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 79769818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).