(2-chloro-1,3-thiazol-5-yl)methyl acetate

C6H6ClNO2S — CID 2764281

IUPAC(2-chloro-1,3-thiazol-5-yl)methyl acetate
SMILESCC(=O)OCc1cnc(Cl)s1
InChIInChI=1S/C6H6ClNO2S/c1-4(9)10-3-5-2-8-6(7)11-5/h2H,3H2,1H3
InChIKeyLDSPIMTWTUAJDV-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.86
Rot. Bonds2

About (2-chloro-1,3-thiazol-5-yl)methyl acetate

(2-chloro-1,3-thiazol-5-yl)methyl acetate (PubChem CID 2764281) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)methyl acetate.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)methyl acetate
PubChem CID2764281
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name(2-chloro-1,3-thiazol-5-yl)methyl acetate
SMILESCC(=O)OCc1cnc(Cl)s1
InChIInChI=1S/C6H6ClNO2S/c1-4(9)10-3-5-2-8-6(7)11-5/h2H,3H2,1H3
InChIKeyLDSPIMTWTUAJDV-UHFFFAOYSA-N
XLogP1.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-1,3-thiazol-5-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl acetate?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl acetate (CID 2764281) is (2-chloro-1,3-thiazol-5-yl)methyl acetate.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)methyl acetate?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)methyl acetate is CC(=O)OCc1cnc(Cl)s1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)methyl acetate?
The InChIKey is LDSPIMTWTUAJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c1-4(9)10-3-5-2-8-6(7)11-5/h2H,3H2,1H3.
What are the key properties of (2-chloro-1,3-thiazol-5-yl)methyl acetate?
(2-chloro-1,3-thiazol-5-yl)methyl acetate has a molecular weight of 191.64 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)methyl acetate is sourced from PubChem (CID 2764281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).