[2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol

C13H19F2NOS — CID 71198412

IUPAC[2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(C2CCC(C(C)(F)F)CC2)sc1CO
InChIInChI=1S/C13H19F2NOS/c1-8-11(7-17)18-12(16-8)9-3-5-10(6-4-9)13(2,14)15/h9-10,17H,3-7H2,1-2H3
InChIKeyJBEBGTHBLLFULK-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.87
Rot. Bonds3

About [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol

[2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 71198412) has the molecular formula C13H19F2NOS and a molecular weight of 275.36 g/mol. Its IUPAC name is [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID71198412
Molecular FormulaC13H19F2NOS
Molecular Weight275.36 g/mol
Exact Mass275.12
IUPAC Name[2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(C2CCC(C(C)(F)F)CC2)sc1CO
InChIInChI=1S/C13H19F2NOS/c1-8-11(7-17)18-12(16-8)9-3-5-10(6-4-9)13(2,14)15/h9-10,17H,3-7H2,1-2H3
InChIKeyJBEBGTHBLLFULK-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol (CID 71198412) is [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(C2CCC(C(C)(F)F)CC2)sc1CO.
What is the InChIKey of [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is JBEBGTHBLLFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NOS/c1-8-11(7-17)18-12(16-8)9-3-5-10(6-4-9)13(2,14)15/h9-10,17H,3-7H2,1-2H3.
What are the key properties of [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol?
[2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 275.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 71198412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).