5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C7H7N3OS — CID 16768121

IUPAC5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2cccs2)o1
InChIInChI=1S/C7H7N3OS/c8-7-10-9-6(11-7)4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)
InChIKeyQMFOBSJYPCYCOP-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.30
Rot. Bonds2

About 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 16768121) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID16768121
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2cccs2)o1
InChIInChI=1S/C7H7N3OS/c8-7-10-9-6(11-7)4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)
InChIKeyQMFOBSJYPCYCOP-UHFFFAOYSA-N
XLogP1.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071471
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065
[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
CID 115087573
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42109993
2-methyl-3-(thiophen-2-ylmethyl)aniline
CID 39240617
5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 45496453
5-bromo-2-(thiophen-2-ylmethyl)-1,3-benzoxazol-7-amine
CID 104728815
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol
CID 111975971
(2S)-N,N-dimethyl-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 95168572
sodium 2-(thiophen-2-ylmethyl)phenolate
CID 101328659

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 16768121) is 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(Cc2cccs2)o1.
What is the InChIKey of 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QMFOBSJYPCYCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c8-7-10-9-6(11-7)4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10).
What are the key properties of 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 181.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 16768121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).