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

C9H4F3NOS — CID 130501175

IUPAC2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2F)=N1
InChIInChI=1S/C9H4F3NOS/c10-5-2-1-4(7(11)8(5)12)9-13-6(14)3-15-9/h1-2H,3H2
InChIKeyPLAQDUIEYUKVKK-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.12
Rot. Bonds1

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

2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one (PubChem CID 130501175) has the molecular formula C9H4F3NOS and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one
PubChem CID130501175
Molecular FormulaC9H4F3NOS
Molecular Weight231.20 g/mol
Exact Mass231.00
IUPAC Name2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2F)=N1
InChIInChI=1S/C9H4F3NOS/c10-5-2-1-4(7(11)8(5)12)9-13-6(14)3-15-9/h1-2H,3H2
InChIKeyPLAQDUIEYUKVKK-UHFFFAOYSA-N
XLogP2.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Thiazole, 4,5-dihydro-2-(4-fluorophenyl)-
CID 3024538
2-Phenylthiazol-4-one
CID 2748720
(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5403197
5-(4-Fluorophenyl)-1,2,4-dithiazol-3-one
CID 71563201
2-phenyl-4H-1,3-thiazine-4,6(5H)-dione
CID 1114649
(5Z)-5-(2-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 5752495
(5Z)-5-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 164672821
2-Phenylthiazoline-4,5-dione
CID 2748808
2-Phenyl-1,3-thiazol-5(4H)-one
CID 12549904
2-Phenyl-5,6-dihydro-1,3-thiazin-4-one
CID 129770645
5-Methyl-2-phenyl-1,3-thiazol-4-one
CID 132563734
5-[(2-Fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 762406

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one (CID 130501175) is 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one is O=C1CSC(c2ccc(F)c(F)c2F)=N1.
What is the InChIKey of 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one?
The InChIKey is PLAQDUIEYUKVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NOS/c10-5-2-1-4(7(11)8(5)12)9-13-6(14)3-15-9/h1-2H,3H2.
What are the key properties of 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one?
2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one has a molecular weight of 231.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 130501175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).