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

C11H19N3OS — CID 102636018

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol
SMILESCCc1nsc(N(C)C2CCCCC2O)n1
InChIInChI=1S/C11H19N3OS/c1-3-10-12-11(16-13-10)14(2)8-6-4-5-7-9(8)15/h8-9,15H,3-7H2,1-2H3
InChIKeyBVRVZPMSWBCAES-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.84
Rot. Bonds3

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

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102636018) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol
PubChem CID102636018
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol
SMILESCCc1nsc(N(C)C2CCCCC2O)n1
InChIInChI=1S/C11H19N3OS/c1-3-10-12-11(16-13-10)14(2)8-6-4-5-7-9(8)15/h8-9,15H,3-7H2,1-2H3
InChIKeyBVRVZPMSWBCAES-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65267579
[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
CID 126835894
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
CID 107305750
4-[(3-Propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272534
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272535
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65273094
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
CID 65273153
2-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65273211
2-[Cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273334
2-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274600
2-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274601
1-[Methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65274771

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol (CID 102636018) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol is CCc1nsc(N(C)C2CCCCC2O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is BVRVZPMSWBCAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-10-12-11(16-13-10)14(2)8-6-4-5-7-9(8)15/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102636018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).