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

C14H25N3O2S — CID 116782401

IUPAC3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC1(c2nsc(NCCOC)n2)CCC(C)CC1
InChIInChI=1S/C14H25N3O2S/c1-4-19-14(7-5-11(2)6-8-14)12-16-13(20-17-12)15-9-10-18-3/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyFDLJJXLGVBGDIX-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.04
Rot. Bonds7

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

3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 116782401) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID116782401
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC1(c2nsc(NCCOC)n2)CCC(C)CC1
InChIInChI=1S/C14H25N3O2S/c1-4-19-14(7-5-11(2)6-8-14)12-16-13(20-17-12)15-9-10-18-3/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyFDLJJXLGVBGDIX-UHFFFAOYSA-N
XLogP3.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 116778323
N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782339
N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine
CID 116782367
3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116782325
N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 65334797
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
3-(cyclopentylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267941
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776165
2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778595
1-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116742600
N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782368
3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65268238

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 116782401) is 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is CCOC1(c2nsc(NCCOC)n2)CCC(C)CC1.
What is the InChIKey of 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FDLJJXLGVBGDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-19-14(7-5-11(2)6-8-14)12-16-13(20-17-12)15-9-10-18-3/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 299.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116782401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).