3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C11H19N3OS — CID 65267645

IUPAC3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCCCC2)ns1
InChIInChI=1S/C11H19N3OS/c1-15-8-7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyYZXATPHMVYVSLT-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.64
Rot. Bonds5

About 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267645) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267645
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCCCC2)ns1
InChIInChI=1S/C11H19N3OS/c1-15-8-7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyYZXATPHMVYVSLT-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 75442214
1-cyclohexyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 121663586
N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 122152969
3-(3,3-difluorocyclohexyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 114216741
3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 114216749
3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133370064
3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133370070
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267473
N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 65267477
3-methyl-N-(2-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267502
N-(2-methoxyethyl)-3-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267535
3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267621

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267645) is 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C2CCCCC2)ns1.
What is the InChIKey of 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YZXATPHMVYVSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-15-8-7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).