1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine

C11H22N4S — CID 65271598

IUPAC1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ncns1
InChIInChI=1S/C11H22N4S/c1-4-15(5-2)8-6-7-10(3)14-11-12-9-13-16-11/h9-10H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyQPVGTPPYBOFFCV-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.46
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine (PubChem CID 65271598) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine
PubChem CID65271598
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ncns1
InChIInChI=1S/C11H22N4S/c1-4-15(5-2)8-6-7-10(3)14-11-12-9-13-16-11/h9-10H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyQPVGTPPYBOFFCV-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-1,2,4-thiadiazol-5-amine
CID 65276253
N-(3-fluorocyclopentyl)-1,2,4-thiadiazol-5-amine
CID 130742298
N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine
CID 131185858
3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 10489552
N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268484
N-propyl-1,2,4-thiadiazol-5-amine
CID 65268873
3-piperidin-1-yl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269164
N-pentyl-1,2,4-thiadiazol-5-amine
CID 65271368
N-pentyl-1,2,4-thiadiazol-3-amine
CID 67847364
5-(4-aminopiperidin-1-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 89542793
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
CID 167490841
5-N-butyl-3-N-cyclododecyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 10133530

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine (CID 65271598) is 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1ncns1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine?
The InChIKey is QPVGTPPYBOFFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-4-15(5-2)8-6-7-10(3)14-11-12-9-13-16-11/h9-10H,4-8H2,1-3H3,(H,12,13,14).
What are the key properties of 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine is sourced from PubChem (CID 65271598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).