1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone

C6H6ClNO2S — CID 138040204

IUPAC1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone
SMILESCOc1nc(Cl)c(C(C)=O)s1
InChIInChI=1S/C6H6ClNO2S/c1-3(9)4-5(7)8-6(10-2)11-4/h1-2H3
InChIKeyMCLZOKSYFFVPGQ-UHFFFAOYSA-N
MW191.64 g/mol
LogP2.01
Rot. Bonds2

About 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone

1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone (PubChem CID 138040204) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone
PubChem CID138040204
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone
SMILESCOc1nc(Cl)c(C(C)=O)s1
InChIInChI=1S/C6H6ClNO2S/c1-3(9)4-5(7)8-6(10-2)11-4/h1-2H3
InChIKeyMCLZOKSYFFVPGQ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone (CID 138040204) is 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone is COc1nc(Cl)c(C(C)=O)s1.
What is the InChIKey of 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone?
The InChIKey is MCLZOKSYFFVPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c1-3(9)4-5(7)8-6(10-2)11-4/h1-2H3.
What are the key properties of 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone?
1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone has a molecular weight of 191.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 138040204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).