5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride

C13H21ClN4OS — CID 154917493

IUPAC5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCC(Cc1ccsc1)Nc1nnc(CCCCN)o1.Cl
InChIInChI=1S/C13H20N4OS.ClH/c1-10(8-11-5-7-19-9-11)15-13-17-16-12(18-13)4-2-3-6-14;/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,15,17);1H
InChIKeyULVJNJKYFREINU-UHFFFAOYSA-N
MW316.86 g/mol
LogP2.88
Rot. Bonds8

About 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride

5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride (PubChem CID 154917493) has the molecular formula C13H21ClN4OS and a molecular weight of 316.86 g/mol. Its IUPAC name is 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
PubChem CID154917493
Molecular FormulaC13H21ClN4OS
Molecular Weight316.86 g/mol
Exact Mass316.11
IUPAC Name5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCC(Cc1ccsc1)Nc1nnc(CCCCN)o1.Cl
InChIInChI=1S/C13H20N4OS.ClH/c1-10(8-11-5-7-19-9-11)15-13-17-16-12(18-13)4-2-3-6-14;/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,15,17);1H
InChIKeyULVJNJKYFREINU-UHFFFAOYSA-N
XLogP2.88
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957281
5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106957575
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288308
5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 64630914
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
5-[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 54929889
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The IUPAC name of 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride (CID 154917493) is 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride is CC(Cc1ccsc1)Nc1nnc(CCCCN)o1.Cl.
What is the InChIKey of 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The InChIKey is ULVJNJKYFREINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS.ClH/c1-10(8-11-5-7-19-9-11)15-13-17-16-12(18-13)4-2-3-6-14;/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,15,17);1H.
What are the key properties of 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride?
5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride has a molecular weight of 316.86 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride is sourced from PubChem (CID 154917493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).