2-(3,4-dichlorophenyl)-1,3-thiazol-4-one

C9H5Cl2NOS — CID 130501165

IUPAC2-(3,4-dichlorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(Cl)c(Cl)c2)=N1
InChIInChI=1S/C9H5Cl2NOS/c10-6-2-1-5(3-7(6)11)9-12-8(13)4-14-9/h1-3H,4H2
InChIKeyAJXLSIMKQGMMLP-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.01
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one

2-(3,4-dichlorophenyl)-1,3-thiazol-4-one (PubChem CID 130501165) has the molecular formula C9H5Cl2NOS and a molecular weight of 246.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1,3-thiazol-4-one
PubChem CID130501165
Molecular FormulaC9H5Cl2NOS
Molecular Weight246.12 g/mol
Exact Mass244.95
IUPAC Name2-(3,4-dichlorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(Cl)c(Cl)c2)=N1
InChIInChI=1S/C9H5Cl2NOS/c10-6-2-1-5(3-7(6)11)9-12-8(13)4-14-9/h1-3H,4H2
InChIKeyAJXLSIMKQGMMLP-UHFFFAOYSA-N
XLogP3.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-Dichlorobenzyl)thio]propanamide
CID 6462029
2-(2-Chloro-6-fluorophenyl)-1,3-thiazol-4-one
CID 130501300
2-(4-Chlorophenyl)-1,3-thiazole-4,5-dione
CID 12365789
2-(4-chlorophenyl)-4H-1,3-thiazol-5-one
CID 12868618
2-(5-Chloro-2-fluorophenyl)-1,3-thiazol-4-one
CID 130501119
2-(2-Chloro-4-fluorophenyl)-1,3-thiazol-4-one
CID 130501302
2-(4-Chloro-2-fluorophenyl)-1,3-thiazol-4-one
CID 130501303
3-(3,4-Dichlorophenyl)-5,6-dihydro-1,4,2-oxathiazine
CID 13577518
3-(3,4-Dichlorophenyl)-1,4,2-oxathiazine
CID 23194573
5-Amino-2-(2,3-dichlorophenyl)-1,3-thiazol-4-one
CID 68553719
5-Amino-2-(2,3,4-trichlorophenyl)-1,3-thiazol-4-one
CID 69259154
2-(4-Chlorophenyl)-4(5H)-thiazolone
CID 101608111

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one (CID 130501165) is 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one is O=C1CSC(c2ccc(Cl)c(Cl)c2)=N1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one?
The InChIKey is AJXLSIMKQGMMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NOS/c10-6-2-1-5(3-7(6)11)9-12-8(13)4-14-9/h1-3H,4H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one?
2-(3,4-dichlorophenyl)-1,3-thiazol-4-one has a molecular weight of 246.12 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 130501165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).