2-(3-chlorophenyl)-1,2-thiazol-3-one

C9H6ClNOS — CID 13017476

IUPAC2-(3-chlorophenyl)-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1cccc(Cl)c1
InChIInChI=1S/C9H6ClNOS/c10-7-2-1-3-8(6-7)11-9(12)4-5-13-11/h1-6H
InChIKeyPLGUAGAZYIMLFF-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.55
Rot. Bonds1

About 2-(3-chlorophenyl)-1,2-thiazol-3-one

2-(3-chlorophenyl)-1,2-thiazol-3-one (PubChem CID 13017476) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,2-thiazol-3-one
PubChem CID13017476
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name2-(3-chlorophenyl)-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1cccc(Cl)c1
InChIInChI=1S/C9H6ClNOS/c10-7-2-1-3-8(6-7)11-9(12)4-5-13-11/h1-6H
InChIKeyPLGUAGAZYIMLFF-UHFFFAOYSA-N
XLogP2.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Rhodanine, 3-(m-chlorophenyl)-
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1-(3-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
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1-(3-Chloro-4-fluorophenyl)-1H-pyrrole-2,5-dione
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N-(3,4-dichlorophenyl)-2-mercaptoacetamide
CID 715360
LY266500
CID 615184
N-(3-chlorophenyl)-2-sulfanylacetamide
CID 781339
Rhodanine, 3-(4-chlorophenyl)-
CID 83070
N-(3,5-Dichlorophenyl)maleimide
CID 152667
N-(3-chlorophenyl)prop-2-enamide
CID 245968

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,2-thiazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-1,2-thiazol-3-one (CID 13017476) is 2-(3-chlorophenyl)-1,2-thiazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1,2-thiazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-1,2-thiazol-3-one is O=c1ccsn1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1,2-thiazol-3-one?
The InChIKey is PLGUAGAZYIMLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-7-2-1-3-8(6-7)11-9(12)4-5-13-11/h1-6H.
What are the key properties of 2-(3-chlorophenyl)-1,2-thiazol-3-one?
2-(3-chlorophenyl)-1,2-thiazol-3-one has a molecular weight of 211.67 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,2-thiazol-3-one is sourced from PubChem (CID 13017476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).