N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide

C13H11ClN2O2S — CID 850553

IUPACN-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2sc(Cl)nc2C)c1
InChIInChI=1S/C13H11ClN2O2S/c1-7-11(19-13(14)15-7)12(18)16-10-5-3-4-9(6-10)8(2)17/h3-6H,1-2H3,(H,16,18)
InChIKeySBASUYBMPLDSFM-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.56
Rot. Bonds3

About N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide

N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 850553) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID850553
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2sc(Cl)nc2C)c1
InChIInChI=1S/C13H11ClN2O2S/c1-7-11(19-13(14)15-7)12(18)16-10-5-3-4-9(6-10)8(2)17/h3-6H,1-2H3,(H,16,18)
InChIKeySBASUYBMPLDSFM-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-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide (CID 850553) is N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2sc(Cl)nc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SBASUYBMPLDSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-7-11(19-13(14)15-7)12(18)16-10-5-3-4-9(6-10)8(2)17/h3-6H,1-2H3,(H,16,18).
What are the key properties of N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide 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-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).