2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one

C10H8ClNOS — CID 130501217

IUPAC2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one
SMILESO=C1CSC(Cc2ccccc2Cl)=N1
InChIInChI=1S/C10H8ClNOS/c11-8-4-2-1-3-7(8)5-10-12-9(13)6-14-10/h1-4H,5-6H2
InChIKeyPGYDMTLCHZVSOX-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.55
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one

2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one (PubChem CID 130501217) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one
PubChem CID130501217
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one
SMILESO=C1CSC(Cc2ccccc2Cl)=N1
InChIInChI=1S/C10H8ClNOS/c11-8-4-2-1-3-7(8)5-10-12-9(13)6-14-10/h1-4H,5-6H2
InChIKeyPGYDMTLCHZVSOX-UHFFFAOYSA-N
XLogP2.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazole, 4,5-dihydro-2-(2-chlorophenyl)-
CID 206352
2-[(4-Chlorophenyl)methyl]-4,5-dihydrothiazole
CID 460640
2-[(2-Chlorobenzyl)sulfanyl]acetamide
CID 958774
(5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 141758683
2-[(2-Fluorophenyl)methyl]-1,3-thiazol-4-one
CID 58048023
2-[(4-Fluorophenyl)methyl]-1,3-thiazol-4-one
CID 130501209
2-(2-Chloro-6-fluorophenyl)-1,3-thiazol-4-one
CID 130501300
4-[(2-chlorophenyl)methylsulfanyl]-5H-pyrimidin-2-one
CID 168654846
2-Benzyl-1,3-thiazol-4-one
CID 4520555
2-(4-Chlorophenyl)-1,3-thiazole-4,5-dione
CID 12365789
5-(4-Chlorophenyl)-2-methyl-1,3-thiazol-4-one
CID 13708832
4-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 78457824

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one (CID 130501217) is 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one is O=C1CSC(Cc2ccccc2Cl)=N1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is PGYDMTLCHZVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-8-4-2-1-3-7(8)5-10-12-9(13)6-14-10/h1-4H,5-6H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one?
2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 225.70 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 130501217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).