1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone

C9H6ClNO2S — CID 115091217

IUPAC1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccc(Cl)o2)s1
InChIInChI=1S/C9H6ClNO2S/c1-5(12)7-4-11-9(14-7)6-2-3-8(10)13-6/h2-4H,1H3
InChIKeyOMSZRSVMQYJKKC-UHFFFAOYSA-N
MW227.67 g/mol
LogP3.26
Rot. Bonds2

About 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone

1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 115091217) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID115091217
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Name1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccc(Cl)o2)s1
InChIInChI=1S/C9H6ClNO2S/c1-5(12)7-4-11-9(14-7)6-2-3-8(10)13-6/h2-4H,1H3
InChIKeyOMSZRSVMQYJKKC-UHFFFAOYSA-N
XLogP3.26
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone (CID 115091217) is 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2ccc(Cl)o2)s1.
What is the InChIKey of 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is OMSZRSVMQYJKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c1-5(12)7-4-11-9(14-7)6-2-3-8(10)13-6/h2-4H,1H3.
What are the key properties of 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 227.67 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 115091217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).