2-chloro-4-methyl-1,3-thiazole;ethyl acetate

C8H12ClNO2S — CID 66850728

IUPAC2-chloro-4-methyl-1,3-thiazole;ethyl acetate
SMILESCCOC(C)=O.Cc1csc(Cl)n1
InChIInChI=1S/C4H4ClNS.C4H8O2/c1-3-2-7-4(5)6-3;1-3-6-4(2)5/h2H,1H3;3H2,1-2H3
InChIKeyZNSSUPVJBFHVQS-UHFFFAOYSA-N
MW221.71 g/mol
LogP2.67
Rot. Bonds1

About 2-chloro-4-methyl-1,3-thiazole;ethyl acetate

2-chloro-4-methyl-1,3-thiazole;ethyl acetate (PubChem CID 66850728) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is 2-chloro-4-methyl-1,3-thiazole;ethyl acetate.

Molecular Properties

Compound Name2-chloro-4-methyl-1,3-thiazole;ethyl acetate
PubChem CID66850728
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Name2-chloro-4-methyl-1,3-thiazole;ethyl acetate
SMILESCCOC(C)=O.Cc1csc(Cl)n1
InChIInChI=1S/C4H4ClNS.C4H8O2/c1-3-2-7-4(5)6-3;1-3-6-4(2)5/h2H,1H3;3H2,1-2H3
InChIKeyZNSSUPVJBFHVQS-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1,3-thiazole;ethyl acetate?
The IUPAC name of 2-chloro-4-methyl-1,3-thiazole;ethyl acetate (CID 66850728) is 2-chloro-4-methyl-1,3-thiazole;ethyl acetate.
What is the SMILES notation for 2-chloro-4-methyl-1,3-thiazole;ethyl acetate?
The canonical SMILES for 2-chloro-4-methyl-1,3-thiazole;ethyl acetate is CCOC(C)=O.Cc1csc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-1,3-thiazole;ethyl acetate?
The InChIKey is ZNSSUPVJBFHVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNS.C4H8O2/c1-3-2-7-4(5)6-3;1-3-6-4(2)5/h2H,1H3;3H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-1,3-thiazole;ethyl acetate?
2-chloro-4-methyl-1,3-thiazole;ethyl acetate has a molecular weight of 221.71 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1,3-thiazole;ethyl acetate is sourced from PubChem (CID 66850728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).