1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C13H24N4S — CID 115309534

IUPAC1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCCc1nsc(NC(CN)C2CCCCC2)n1
InChIInChI=1S/C13H24N4S/c1-2-6-12-16-13(18-17-12)15-11(9-14)10-7-4-3-5-8-10/h10-11H,2-9,14H2,1H3,(H,15,16,17)
InChIKeyDXWGDAQUIHUIJI-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.81
Rot. Bonds6

About 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 115309534) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID115309534
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCCc1nsc(NC(CN)C2CCCCC2)n1
InChIInChI=1S/C13H24N4S/c1-2-6-12-16-13(18-17-12)15-11(9-14)10-7-4-3-5-8-10/h10-11H,2-9,14H2,1H3,(H,15,16,17)
InChIKeyDXWGDAQUIHUIJI-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclohexylpropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267694
1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65276177
4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
CID 65271851
N-(4-bromo-1,3-thiazol-2-yl)-1-cyclopentylethane-1,2-diamine
CID 106738202
N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114547755
2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65275524
N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65274405
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276553
N-piperidin-3-yl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65275895
N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114123761
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79247194
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 115309534) is 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CCCc1nsc(NC(CN)C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is DXWGDAQUIHUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-2-6-12-16-13(18-17-12)15-11(9-14)10-7-4-3-5-8-10/h10-11H,2-9,14H2,1H3,(H,15,16,17).
What are the key properties of 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 115309534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).