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

C9H11F2NOS — CID 130501509

IUPAC2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol
SMILESOc1csc(C2CCCC(F)(F)C2)n1
InChIInChI=1S/C9H11F2NOS/c10-9(11)3-1-2-6(4-9)8-12-7(13)5-14-8/h5-6,13H,1-4H2
InChIKeyHJAHUHZYXCTZMQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.14
Rot. Bonds1

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

2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol (PubChem CID 130501509) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol
PubChem CID130501509
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol
SMILESOc1csc(C2CCCC(F)(F)C2)n1
InChIInChI=1S/C9H11F2NOS/c10-9(11)3-1-2-6(4-9)8-12-7(13)5-14-8/h5-6,13H,1-4H2
InChIKeyHJAHUHZYXCTZMQ-UHFFFAOYSA-N
XLogP3.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol (CID 130501509) is 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol is Oc1csc(C2CCCC(F)(F)C2)n1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol?
The InChIKey is HJAHUHZYXCTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c10-9(11)3-1-2-6(4-9)8-12-7(13)5-14-8/h5-6,13H,1-4H2.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol?
2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol has a molecular weight of 219.26 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).