[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol

C13H22N2O2S — CID 80618376

IUPAC[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCC1CCC(C(C)C)C(Oc2nnc(CO)s2)C1
InChIInChI=1S/C13H22N2O2S/c1-8(2)10-5-4-9(3)6-11(10)17-13-15-14-12(7-16)18-13/h8-11,16H,4-7H2,1-3H3
InChIKeyILFCIWCWOXBPHC-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.87
Rot. Bonds4

About [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol

[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80618376) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80618376
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCC1CCC(C(C)C)C(Oc2nnc(CO)s2)C1
InChIInChI=1S/C13H22N2O2S/c1-8(2)10-5-4-9(3)6-11(10)17-13-15-14-12(7-16)18-13/h8-11,16H,4-7H2,1-3H3
InChIKeyILFCIWCWOXBPHC-UHFFFAOYSA-N
XLogP2.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (CID 80618376) is [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is CC1CCC(C(C)C)C(Oc2nnc(CO)s2)C1.
What is the InChIKey of [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is ILFCIWCWOXBPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-8(2)10-5-4-9(3)6-11(10)17-13-15-14-12(7-16)18-13/h8-11,16H,4-7H2,1-3H3.
What are the key properties of [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80618376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).