2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol

C14H23N3O2S — CID 166243639

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol
SMILESCOC1CCCC(C(CO)Nc2nc(C3CC3)ns2)C1
InChIInChI=1S/C14H23N3O2S/c1-19-11-4-2-3-10(7-11)12(8-18)15-14-16-13(17-20-14)9-5-6-9/h9-12,18H,2-8H2,1H3,(H,15,16,17)
InChIKeyGOUAXZXGGNHVGZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.39
Rot. Bonds6

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol (PubChem CID 166243639) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol
PubChem CID166243639
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol
SMILESCOC1CCCC(C(CO)Nc2nc(C3CC3)ns2)C1
InChIInChI=1S/C14H23N3O2S/c1-19-11-4-2-3-10(7-11)12(8-18)15-14-16-13(17-20-14)9-5-6-9/h9-12,18H,2-8H2,1H3,(H,15,16,17)
InChIKeyGOUAXZXGGNHVGZ-UHFFFAOYSA-N
XLogP2.39
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol (CID 166243639) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol is COC1CCCC(C(CO)Nc2nc(C3CC3)ns2)C1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol?
The InChIKey is GOUAXZXGGNHVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-19-11-4-2-3-10(7-11)12(8-18)15-14-16-13(17-20-14)9-5-6-9/h9-12,18H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol has a molecular weight of 297.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(3-methoxycyclohexyl)ethanol is sourced from PubChem (CID 166243639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).