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

C13H12N2O3S — CID 22259036

IUPACphenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCC(=O)c1sc(NC(=O)Oc2ccccc2)nc1C
InChIInChI=1S/C13H12N2O3S/c1-8-11(9(2)16)19-12(14-8)15-13(17)18-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15,17)
InChIKeyABHCRKQVIKCTER-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.27
Rot. Bonds3

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

phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 22259036) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID22259036
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Namephenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCC(=O)c1sc(NC(=O)Oc2ccccc2)nc1C
InChIInChI=1S/C13H12N2O3S/c1-8-11(9(2)16)19-12(14-8)15-13(17)18-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15,17)
InChIKeyABHCRKQVIKCTER-UHFFFAOYSA-N
XLogP3.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate (CID 22259036) is phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate is CC(=O)c1sc(NC(=O)Oc2ccccc2)nc1C.
What is the InChIKey of phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is ABHCRKQVIKCTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-11(9(2)16)19-12(14-8)15-13(17)18-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate?
phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 276.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 22259036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).