5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine

C11H16N4OS — CID 106970644

IUPAC5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCCC(Nc1nnc(CN)o1)c1cccs1
InChIInChI=1S/C11H16N4OS/c1-2-4-8(9-5-3-6-17-9)13-11-15-14-10(7-12)16-11/h3,5-6,8H,2,4,7,12H2,1H3,(H,13,15)
InChIKeyZVVFHXOBBGDUDH-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.54
Rot. Bonds6

About 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970644) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106970644
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCCC(Nc1nnc(CN)o1)c1cccs1
InChIInChI=1S/C11H16N4OS/c1-2-4-8(9-5-3-6-17-9)13-11-15-14-10(7-12)16-11/h3,5-6,8H,2,4,7,12H2,1H3,(H,13,15)
InChIKeyZVVFHXOBBGDUDH-UHFFFAOYSA-N
XLogP2.54
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970652
5-[(2-methoxyethylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970651
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 97155845
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
CID 63271983
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969059

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine (CID 106970644) is 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine is CCCC(Nc1nnc(CN)o1)c1cccs1.
What is the InChIKey of 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZVVFHXOBBGDUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-4-8(9-5-3-6-17-9)13-11-15-14-10(7-12)16-11/h3,5-6,8H,2,4,7,12H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 252.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).