5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole

C8H8F3NS — CID 144946172

IUPAC5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESC=CC(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NS/c1-3-5(2)6-4-12-7(13-6)8(9,10)11/h3-5H,1H2,2H3
InChIKeyRYVUDCDYLVCLOG-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.45
Rot. Bonds2

About 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole

5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 144946172) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID144946172
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESC=CC(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NS/c1-3-5(2)6-4-12-7(13-6)8(9,10)11/h3-5H,1H2,2H3
InChIKeyRYVUDCDYLVCLOG-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.45
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

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
2,5-Dipropylthiazole
CID 588151
2-Bromo-5-(propan-2-yl)-1,3-thiazole
CID 45788771
2-Chloro-5-(1,1-difluoroethyl)-1,3-thiazole
CID 155822051
2-(Bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole
CID 166088000
2-Isobutyl-5-methylthiazole
CID 574811
5-(Propan-2-yl)-1,3-thiazole
CID 18736806
5-Tert-butyl-2-methyl-1,3-thiazole
CID 20737594
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
1,1,1,3,3,3-Hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
CID 20729841
5-Ethyl-2-fluoro-1,3-thiazole
CID 21030403

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole (CID 144946172) is 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole is C=CC(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RYVUDCDYLVCLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-3-5(2)6-4-12-7(13-6)8(9,10)11/h3-5H,1H2,2H3.
What are the key properties of 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole?
5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 207.22 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 144946172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).