2-(4-chlorophenyl)-4H-1,3-thiazol-5-one

C9H6ClNOS — CID 12868618

IUPAC2-(4-chlorophenyl)-4H-1,3-thiazol-5-one
SMILESO=C1CN=C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C9H6ClNOS/c10-7-3-1-6(2-4-7)9-11-5-8(12)13-9/h1-4H,5H2
InChIKeySKUZTNQWZAYMNK-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.36
Rot. Bonds1

About 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one

2-(4-chlorophenyl)-4H-1,3-thiazol-5-one (PubChem CID 12868618) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4H-1,3-thiazol-5-one
PubChem CID12868618
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name2-(4-chlorophenyl)-4H-1,3-thiazol-5-one
SMILESO=C1CN=C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C9H6ClNOS/c10-7-3-1-6(2-4-7)9-11-5-8(12)13-9/h1-4H,5H2
InChIKeySKUZTNQWZAYMNK-UHFFFAOYSA-N
XLogP2.36
TPSA29.43 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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)-4,5-dihydrothiazole
CID 202677
Thiazole, 4,5-dihydro-2-(2-chlorophenyl)-
CID 206352
6H-1,3,5-Oxathiazine, 4-(4-chlorophenyl)-
CID 204086
Thiazole, 4,5-dihydro-2-(3-chlorophenyl)-
CID 206353
1,3-Thiazine-6-one-4-ol, 2-(4-chlorophenyl)-
CID 135418574
5-(4-Chlorophenyl)-1,2,4-dithiazol-3-one
CID 12365796
Thiazolium, 4,5-dihydro-2-(4-chlorophenyl)-3-methyl-, iodide
CID 13425515
(4R)-2-(4-Chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 70682721
2-[(4-Chlorophenyl)methyl]-4,5-dihydrothiazole
CID 460640
1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethan-1-one
CID 2799112
2-Phenyl-1,3-thiazol-5(4H)-one
CID 12549904
2-[(Z)-2-(4-chlorophenyl)vinyl]-4,5-dihydrothiazole
CID 6474282

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one (CID 12868618) is 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one is O=C1CN=C(c2ccc(Cl)cc2)S1.
What is the InChIKey of 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one?
The InChIKey is SKUZTNQWZAYMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-7-3-1-6(2-4-7)9-11-5-8(12)13-9/h1-4H,5H2.
What are the key properties of 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one?
2-(4-chlorophenyl)-4H-1,3-thiazol-5-one has a molecular weight of 211.67 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4H-1,3-thiazol-5-one is sourced from PubChem (CID 12868618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).