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

C11H14N4OS — CID 106961019

IUPAC5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1cc(CNc2nnc(CNC3CC3)o2)cs1
InChIInChI=1S/C11H14N4OS/c1-2-9(1)12-6-10-14-15-11(16-10)13-5-8-3-4-17-7-8/h3-4,7,9,12H,1-2,5-6H2,(H,13,15)
InChIKeyTWVGBLQCHBROIL-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.00
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961019) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961019
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1cc(CNc2nnc(CNC3CC3)o2)cs1
InChIInChI=1S/C11H14N4OS/c1-2-9(1)12-6-10-14-15-11(16-10)13-5-8-3-4-17-7-8/h3-4,7,9,12H,1-2,5-6H2,(H,13,15)
InChIKeyTWVGBLQCHBROIL-UHFFFAOYSA-N
XLogP2.00
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(chloromethyl)-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957660
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429
5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960369
5-[(2-fluorophenyl)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 84596743
5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960831
5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine
CID 106963241
5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960617
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
2-[4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
CID 106969770
5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106327738
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961284

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106961019) is 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine is c1cc(CNc2nnc(CNC3CC3)o2)cs1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is TWVGBLQCHBROIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-9(1)12-6-10-14-15-11(16-10)13-5-8-3-4-17-7-8/h3-4,7,9,12H,1-2,5-6H2,(H,13,15).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 250.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).