5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole

C7H7F2NS — CID 125453228

IUPAC5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1ncc(C2CC2)s1
InChIInChI=1S/C7H7F2NS/c8-6(9)7-10-3-5(11-7)4-1-2-4/h3-4,6H,1-2H2
InChIKeyKWPJLYDHMWJQSF-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.96
Rot. Bonds2

About 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole

5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole (PubChem CID 125453228) has the molecular formula C7H7F2NS and a molecular weight of 175.20 g/mol. Its IUPAC name is 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole
PubChem CID125453228
Molecular FormulaC7H7F2NS
Molecular Weight175.20 g/mol
Exact Mass175.03
IUPAC Name5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1ncc(C2CC2)s1
InChIInChI=1S/C7H7F2NS/c8-6(9)7-10-3-5(11-7)4-1-2-4/h3-4,6H,1-2H2
InChIKeyKWPJLYDHMWJQSF-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole?
The IUPAC name of 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole (CID 125453228) is 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole is FC(F)c1ncc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole?
The InChIKey is KWPJLYDHMWJQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS/c8-6(9)7-10-3-5(11-7)4-1-2-4/h3-4,6H,1-2H2.
What are the key properties of 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole?
5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole has a molecular weight of 175.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(difluoromethyl)-1,3-thiazole is sourced from PubChem (CID 125453228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).