2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol

C8H9F2NOS — CID 130501461

IUPAC2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol
SMILESOc1csc(C2CCC(F)(F)C2)n1
InChIInChI=1S/C8H9F2NOS/c9-8(10)2-1-5(3-8)7-11-6(12)4-13-7/h4-5,12H,1-3H2
InChIKeyOMMJYCQIKQBBCQ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.75
Rot. Bonds1

About 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol

2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol (PubChem CID 130501461) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol
PubChem CID130501461
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol
SMILESOc1csc(C2CCC(F)(F)C2)n1
InChIInChI=1S/C8H9F2NOS/c9-8(10)2-1-5(3-8)7-11-6(12)4-13-7/h4-5,12H,1-3H2
InChIKeyOMMJYCQIKQBBCQ-UHFFFAOYSA-N
XLogP2.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol (CID 130501461) is 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol is Oc1csc(C2CCC(F)(F)C2)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol?
The InChIKey is OMMJYCQIKQBBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c9-8(10)2-1-5(3-8)7-11-6(12)4-13-7/h4-5,12H,1-3H2.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol?
2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol has a molecular weight of 205.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).