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

C9H4Cl2FNOS — CID 60929122

IUPAC4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2cc(F)c(Cl)cc2Cl)cs1
InChIInChI=1S/C9H4Cl2FNOS/c10-5-2-6(11)7(12)1-4(5)8-3-15-9(14)13-8/h1-3H,(H,13,14)
InChIKeyKVMKRGOKPHIGMH-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.55
Rot. Bonds1

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

4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one (PubChem CID 60929122) has the molecular formula C9H4Cl2FNOS and a molecular weight of 264.11 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one
PubChem CID60929122
Molecular FormulaC9H4Cl2FNOS
Molecular Weight264.11 g/mol
Exact Mass262.94
IUPAC Name4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2cc(F)c(Cl)cc2Cl)cs1
InChIInChI=1S/C9H4Cl2FNOS/c10-5-2-6(11)7(12)1-4(5)8-3-15-9(14)13-8/h1-3H,(H,13,14)
InChIKeyKVMKRGOKPHIGMH-UHFFFAOYSA-N
XLogP3.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one (CID 60929122) is 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2cc(F)c(Cl)cc2Cl)cs1.
What is the InChIKey of 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one?
The InChIKey is KVMKRGOKPHIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FNOS/c10-5-2-6(11)7(12)1-4(5)8-3-15-9(14)13-8/h1-3H,(H,13,14).
What are the key properties of 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one?
4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one has a molecular weight of 264.11 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 60929122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).