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

C9H12N2O3S — CID 7131316

IUPACethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate
SMILESCCOC(=O)Nc1snc(C)c1C(C)=O
InChIInChI=1S/C9H12N2O3S/c1-4-14-9(13)10-8-7(6(3)12)5(2)11-15-8/h4H2,1-3H3,(H,10,13)
InChIKeyJDCAMRDRXRPOOD-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.22
Rot. Bonds3

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

ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate (PubChem CID 7131316) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate
PubChem CID7131316
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nameethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate
SMILESCCOC(=O)Nc1snc(C)c1C(C)=O
InChIInChI=1S/C9H12N2O3S/c1-4-14-9(13)10-8-7(6(3)12)5(2)11-15-8/h4H2,1-3H3,(H,10,13)
InChIKeyJDCAMRDRXRPOOD-UHFFFAOYSA-N
XLogP2.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate?
The IUPAC name of ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate (CID 7131316) is ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate is CCOC(=O)Nc1snc(C)c1C(C)=O.
What is the InChIKey of ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate?
The InChIKey is JDCAMRDRXRPOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-4-14-9(13)10-8-7(6(3)12)5(2)11-15-8/h4H2,1-3H3,(H,10,13).
What are the key properties of ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate?
ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate has a molecular weight of 228.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate is sourced from PubChem (CID 7131316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).