1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol

C13H19F2NOS — CID 114215705

IUPAC1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCc1nc(CC(O)C2CCCC(F)(F)C2)sc1C
InChIInChI=1S/C13H19F2NOS/c1-8-9(2)18-12(16-8)6-11(17)10-4-3-5-13(14,15)7-10/h10-11,17H,3-7H2,1-2H3
InChIKeyRLBJPKXWFWONPJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.49
Rot. Bonds3

About 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol

1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (PubChem CID 114215705) has the molecular formula C13H19F2NOS and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
PubChem CID114215705
Molecular FormulaC13H19F2NOS
Molecular Weight275.36 g/mol
Exact Mass275.12
IUPAC Name1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCc1nc(CC(O)C2CCCC(F)(F)C2)sc1C
InChIInChI=1S/C13H19F2NOS/c1-8-9(2)18-12(16-8)6-11(17)10-4-3-5-13(14,15)7-10/h10-11,17H,3-7H2,1-2H3
InChIKeyRLBJPKXWFWONPJ-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (CID 114215705) is 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is Cc1nc(CC(O)C2CCCC(F)(F)C2)sc1C.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is RLBJPKXWFWONPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NOS/c1-8-9(2)18-12(16-8)6-11(17)10-4-3-5-13(14,15)7-10/h10-11,17H,3-7H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 275.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 114215705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).