5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine

C13H20N4OS — CID 106969059

IUPAC5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NC(C)c2cccs2)o1
InChIInChI=1S/C13H20N4OS/c1-9(2)7-14-8-12-16-17-13(18-12)15-10(3)11-5-4-6-19-11/h4-6,9-10,14H,7-8H2,1-3H3,(H,15,17)
InChIKeyDKJXIICTZKGRHA-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.05
Rot. Bonds7

About 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine

5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969059) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969059
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NC(C)c2cccs2)o1
InChIInChI=1S/C13H20N4OS/c1-9(2)7-14-8-12-16-17-13(18-12)15-10(3)11-5-4-6-19-11/h4-6,9-10,14H,7-8H2,1-3H3,(H,15,17)
InChIKeyDKJXIICTZKGRHA-UHFFFAOYSA-N
XLogP3.05
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961616
N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966384
N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959871
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 102677243
5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970652
N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962202
5-[(2-methoxyethylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970651
N-[(2-fluorophenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968171
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959907
5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962100
N-(3,4-dimethylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967271
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959991

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106969059) is 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(NC(C)c2cccs2)o1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DKJXIICTZKGRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9(2)7-14-8-12-16-17-13(18-12)15-10(3)11-5-4-6-19-11/h4-6,9-10,14H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine?
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).