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

C8H9N3OS — CID 115777298

IUPAC3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cccs2)n1
InChIInChI=1S/C8H9N3OS/c1-6-10-8(12-11-6)9-5-7-3-2-4-13-7/h2-4H,5H2,1H3,(H,9,10,11)
InChIKeyRTHNGWHZZSSHCC-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds3

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

3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 115777298) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID115777298
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cccs2)n1
InChIInChI=1S/C8H9N3OS/c1-6-10-8(12-11-6)9-5-7-3-2-4-13-7/h2-4H,5H2,1H3,(H,9,10,11)
InChIKeyRTHNGWHZZSSHCC-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 46342115
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43678210
5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazol-2-amine
CID 130735490
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924870
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111258581
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 91636185
N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106403164

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine (CID 115777298) is 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2cccs2)n1.
What is the InChIKey of 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is RTHNGWHZZSSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-6-10-8(12-11-6)9-5-7-3-2-4-13-7/h2-4H,5H2,1H3,(H,9,10,11).
What are the key properties of 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115777298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).