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

C9H11F2NS — CID 175213222

IUPAC3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole
SMILESFC(F)c1cc(C2CCCC2)ns1
InChIInChI=1S/C9H11F2NS/c10-9(11)8-5-7(12-13-8)6-3-1-2-4-6/h5-6,9H,1-4H2
InChIKeyJKKDMFKFGBDFDD-UHFFFAOYSA-N
MW203.26 g/mol
LogP3.74
Rot. Bonds2

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

3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole (PubChem CID 175213222) has the molecular formula C9H11F2NS and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole
PubChem CID175213222
Molecular FormulaC9H11F2NS
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole
SMILESFC(F)c1cc(C2CCCC2)ns1
InChIInChI=1S/C9H11F2NS/c10-9(11)8-5-7(12-13-8)6-3-1-2-4-6/h5-6,9H,1-4H2
InChIKeyJKKDMFKFGBDFDD-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole?
The IUPAC name of 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole (CID 175213222) is 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole.
What is the SMILES notation for 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole?
The canonical SMILES for 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole is FC(F)c1cc(C2CCCC2)ns1.
What is the InChIKey of 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole?
The InChIKey is JKKDMFKFGBDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NS/c10-9(11)8-5-7(12-13-8)6-3-1-2-4-6/h5-6,9H,1-4H2.
What are the key properties of 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole?
3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole has a molecular weight of 203.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(difluoromethyl)-1,2-thiazole is sourced from PubChem (CID 175213222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).