3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine

C20H40N4S — CID 10155913

IUPAC3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCCCCCCCNc1nsc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C20H40N4S/c1-6-7-8-9-10-11-12-13-14-21-19-22-20(25-23-19)24(15-17(2)3)16-18(4)5/h17-18H,6-16H2,1-5H3,(H,21,23)
InChIKeyBRICDMIYRXIEMO-UHFFFAOYSA-N
MW368.64 g/mol
LogP6.21
Rot. Bonds15

About 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine

3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 10155913) has the molecular formula C20H40N4S and a molecular weight of 368.64 g/mol. Its IUPAC name is 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID10155913
Molecular FormulaC20H40N4S
Molecular Weight368.64 g/mol
Exact Mass368.30
IUPAC Name3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCCCCCCCNc1nsc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C20H40N4S/c1-6-7-8-9-10-11-12-13-14-21-19-22-20(25-23-19)24(15-17(2)3)16-18(4)5/h17-18H,6-16H2,1-5H3,(H,21,23)
InChIKeyBRICDMIYRXIEMO-UHFFFAOYSA-N
XLogP6.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.64
LogP ≤ 56.21
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 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine (CID 10155913) is 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine is CCCCCCCCCCNc1nsc(N(CC(C)C)CC(C)C)n1.
What is the InChIKey of 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is BRICDMIYRXIEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4S/c1-6-7-8-9-10-11-12-13-14-21-19-22-20(25-23-19)24(15-17(2)3)16-18(4)5/h17-18H,6-16H2,1-5H3,(H,21,23).
What are the key properties of 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 368.64 g/mol, XLogP of 6.21, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-decyl-5-N,5-N-bis(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 10155913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).