N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine

C10H20N4S — CID 107207074

IUPACN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
SMILESCCc1nsc(N(C)CCCCCN)n1
InChIInChI=1S/C10H20N4S/c1-3-9-12-10(15-13-9)14(2)8-6-4-5-7-11/h3-8,11H2,1-2H3
InChIKeyGXFYPJZVBFNSRX-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.67
Rot. Bonds7

About N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine (PubChem CID 107207074) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
PubChem CID107207074
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
SMILESCCc1nsc(N(C)CCCCCN)n1
InChIInChI=1S/C10H20N4S/c1-3-9-12-10(15-13-9)14(2)8-6-4-5-7-11/h3-8,11H2,1-2H3
InChIKeyGXFYPJZVBFNSRX-UHFFFAOYSA-N
XLogP1.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.67
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 N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine?
The IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine (CID 107207074) is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine?
The canonical SMILES for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine is CCc1nsc(N(C)CCCCCN)n1.
What is the InChIKey of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine?
The InChIKey is GXFYPJZVBFNSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-3-9-12-10(15-13-9)14(2)8-6-4-5-7-11/h3-8,11H2,1-2H3.
What are the key properties of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine?
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 107207074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).