5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine

C20H38N4S — CID 10133531

IUPAC5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCCCCCCCNc1nsc(N(CC)C2CCCCC2)n1
InChIInChI=1S/C20H38N4S/c1-3-5-6-7-8-9-10-14-17-21-19-22-20(25-23-19)24(4-2)18-15-12-11-13-16-18/h18H,3-17H2,1-2H3,(H,21,23)
InChIKeyKPSZMPVEMUQDNX-UHFFFAOYSA-N
MW366.62 g/mol
LogP6.25
Rot. Bonds13

About 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine

5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 10133531) has the molecular formula C20H38N4S and a molecular weight of 366.62 g/mol. Its IUPAC name is 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID10133531
Molecular FormulaC20H38N4S
Molecular Weight366.62 g/mol
Exact Mass366.28
IUPAC Name5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCCCCCCCNc1nsc(N(CC)C2CCCCC2)n1
InChIInChI=1S/C20H38N4S/c1-3-5-6-7-8-9-10-14-17-21-19-22-20(25-23-19)24(4-2)18-15-12-11-13-16-18/h18H,3-17H2,1-2H3,(H,21,23)
InChIKeyKPSZMPVEMUQDNX-UHFFFAOYSA-N
XLogP6.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 56.25
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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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine (CID 10133531) is 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine is CCCCCCCCCCNc1nsc(N(CC)C2CCCCC2)n1.
What is the InChIKey of 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is KPSZMPVEMUQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4S/c1-3-5-6-7-8-9-10-14-17-21-19-22-20(25-23-19)24(4-2)18-15-12-11-13-16-18/h18H,3-17H2,1-2H3,(H,21,23).
What are the key properties of 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 366.62 g/mol, XLogP of 6.25, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 10133531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).