1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine

C15H20N4S — CID 116650369

IUPAC1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCCCc1nsc(NC2CCCc3cc(N)ccc32)n1
InChIInChI=1S/C15H20N4S/c1-2-4-14-18-15(20-19-14)17-13-6-3-5-10-9-11(16)7-8-12(10)13/h7-9,13H,2-6,16H2,1H3,(H,17,18,19)
InChIKeyJPPIGIVJLCMZCT-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.56
Rot. Bonds4

About 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine

1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine (PubChem CID 116650369) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
PubChem CID116650369
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCCCc1nsc(NC2CCCc3cc(N)ccc32)n1
InChIInChI=1S/C15H20N4S/c1-2-4-14-18-15(20-19-14)17-13-6-3-5-10-9-11(16)7-8-12(10)13/h7-9,13H,2-6,16H2,1H3,(H,17,18,19)
InChIKeyJPPIGIVJLCMZCT-UHFFFAOYSA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine (CID 116650369) is 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine is CCCc1nsc(NC2CCCc3cc(N)ccc32)n1.
What is the InChIKey of 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The InChIKey is JPPIGIVJLCMZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-4-14-18-15(20-19-14)17-13-6-3-5-10-9-11(16)7-8-12(10)13/h7-9,13H,2-6,16H2,1H3,(H,17,18,19).
What are the key properties of 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 116650369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).