2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole

C9H8F3NS — CID 164588503

IUPAC2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2=CCCC2)n1
InChIInChI=1S/C9H8F3NS/c10-9(11,12)7-5-14-8(13-7)6-3-1-2-4-6/h3,5H,1-2,4H2
InChIKeyUABIMIHNSWZQFS-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.73
Rot. Bonds1

About 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 164588503) has the molecular formula C9H8F3NS and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID164588503
Molecular FormulaC9H8F3NS
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC Name2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2=CCCC2)n1
InChIInChI=1S/C9H8F3NS/c10-9(11,12)7-5-14-8(13-7)6-3-1-2-4-6/h3,5H,1-2,4H2
InChIKeyUABIMIHNSWZQFS-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 164588503) is 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(C2=CCCC2)n1.
What is the InChIKey of 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is UABIMIHNSWZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NS/c10-9(11,12)7-5-14-8(13-7)6-3-1-2-4-6/h3,5H,1-2,4H2.
What are the key properties of 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 219.23 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 164588503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).