2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole

C7H6F3NS — CID 130167067

IUPAC2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2CC2)n1
InChIInChI=1S/C7H6F3NS/c8-7(9,10)5-3-12-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKeyHPGPQLPRJVBULH-UHFFFAOYSA-N
MW193.19 g/mol
LogP3.04
Rot. Bonds1

About 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole

2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 130167067) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID130167067
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2CC2)n1
InChIInChI=1S/C7H6F3NS/c8-7(9,10)5-3-12-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKeyHPGPQLPRJVBULH-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole (CID 130167067) is 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HPGPQLPRJVBULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c8-7(9,10)5-3-12-6(11-5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole?
2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 193.19 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 130167067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).