4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol

C10H17N3OS — CID 65272535

IUPAC4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCCc1nsc(NC2CCC(O)CC2)n1
InChIInChI=1S/C10H17N3OS/c1-2-9-12-10(15-13-9)11-7-3-5-8(14)6-4-7/h7-8,14H,2-6H2,1H3,(H,11,12,13)
InChIKeyQZZYPQDLYRDZTF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.82
Rot. Bonds3

About 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (PubChem CID 65272535) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
PubChem CID65272535
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCCc1nsc(NC2CCC(O)CC2)n1
InChIInChI=1S/C10H17N3OS/c1-2-9-12-10(15-13-9)11-7-3-5-8(14)6-4-7/h7-8,14H,2-6H2,1H3,(H,11,12,13)
InChIKeyQZZYPQDLYRDZTF-UHFFFAOYSA-N
XLogP1.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (CID 65272535) is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is CCc1nsc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The InChIKey is QZZYPQDLYRDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-9-12-10(15-13-9)11-7-3-5-8(14)6-4-7/h7-8,14H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 65272535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).