(2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol

C11H18N2OS — CID 105100259

IUPAC(2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol
SMILESCCC1CCCCC1C(O)c1cnns1
InChIInChI=1S/C11H18N2OS/c1-2-8-5-3-4-6-9(8)11(14)10-7-12-13-15-10/h7-9,11,14H,2-6H2,1H3
InChIKeyNFNQBZNJKYGYQL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.79
Rot. Bonds3

About (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol

(2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol (PubChem CID 105100259) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol
PubChem CID105100259
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol
SMILESCCC1CCCCC1C(O)c1cnns1
InChIInChI=1S/C11H18N2OS/c1-2-8-5-3-4-6-9(8)11(14)10-7-12-13-15-10/h7-9,11,14H,2-6H2,1H3
InChIKeyNFNQBZNJKYGYQL-UHFFFAOYSA-N
XLogP2.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol?
The IUPAC name of (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol (CID 105100259) is (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol.
What is the SMILES notation for (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol?
The canonical SMILES for (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol is CCC1CCCCC1C(O)c1cnns1.
What is the InChIKey of (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol?
The InChIKey is NFNQBZNJKYGYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-8-5-3-4-6-9(8)11(14)10-7-12-13-15-10/h7-9,11,14H,2-6H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol?
(2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol has a molecular weight of 226.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(thiadiazol-5-yl)methanol is sourced from PubChem (CID 105100259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).