N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide

C13H11ClN2O2S — CID 733870

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C13H11ClN2O2S/c1-7-11(8(2)17)19-13(15-7)16-12(18)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,15,16,18)
InChIKeyRJASYARWPWIJED-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.56
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide (PubChem CID 733870) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
PubChem CID733870
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C13H11ClN2O2S/c1-7-11(8(2)17)19-13(15-7)16-12(18)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,15,16,18)
InChIKeyRJASYARWPWIJED-UHFFFAOYSA-N
XLogP3.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide (CID 733870) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide is CC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The InChIKey is RJASYARWPWIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-7-11(8(2)17)19-13(15-7)16-12(18)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide has a molecular weight of 294.76 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide is sourced from PubChem (CID 733870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).