3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole

C12H10FNS — CID 151979900

IUPAC3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole
SMILESC=CCc1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C12H10FNS/c1-2-3-11-8-12(14-15-11)9-4-6-10(13)7-5-9/h2,4-8H,1,3H2
InChIKeyUCLMBOYVIJPXJM-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.68
Rot. Bonds3

About 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole

3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole (PubChem CID 151979900) has the molecular formula C12H10FNS and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole
PubChem CID151979900
Molecular FormulaC12H10FNS
Molecular Weight219.28 g/mol
Exact Mass219.05
IUPAC Name3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole
SMILESC=CCc1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C12H10FNS/c1-2-3-11-8-12(14-15-11)9-4-6-10(13)7-5-9/h2,4-8H,1,3H2
InChIKeyUCLMBOYVIJPXJM-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Benzisothiazole, 3-methyl-
CID 80321
3-Methyl-5-phenyl-1,2-thiazole
CID 600269
3-Phenyl-1,2-thiazol-5-amine
CID 12603879
3-Phenyl-1,2-benzisothiazole
CID 337917
(3-Phenyl-1,2-thiazol-5-yl)methanamine
CID 65814892
(3-Methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 44457760
3-Phenylisothiazole
CID 595044
4-Isothiazolecarbonitrile, 5-methyl-3-phenyl-
CID 608189
3,5-Diphenyl-1,2-thiazole
CID 12234748
4-Cyano-3-methyl-5-phenyl-isothiazol
CID 21820661
5-(4-Fluorophenyl)-1,2-thiazole
CID 53438983
Fluoromethylthioanthranil
CID 129788507

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole (CID 151979900) is 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole is C=CCc1cc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole?
The InChIKey is UCLMBOYVIJPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNS/c1-2-3-11-8-12(14-15-11)9-4-6-10(13)7-5-9/h2,4-8H,1,3H2.
What are the key properties of 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole?
3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole has a molecular weight of 219.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-prop-2-enyl-1,2-thiazole is sourced from PubChem (CID 151979900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).