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

C12H17N3OS — CID 75445993

IUPAC5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)Cc1nnc(NCc2cccs2)o1
InChIInChI=1S/C12H17N3OS/c1-12(2,3)7-10-14-15-11(16-10)13-8-9-5-4-6-17-9/h4-6H,7-8H2,1-3H3,(H,13,15)
InChIKeySIUWMSMEKQZRHT-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.33
Rot. Bonds4

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

5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 75445993) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID75445993
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)Cc1nnc(NCc2cccs2)o1
InChIInChI=1S/C12H17N3OS/c1-12(2,3)7-10-14-15-11(16-10)13-8-9-5-4-6-17-9/h4-6H,7-8H2,1-3H3,(H,13,15)
InChIKeySIUWMSMEKQZRHT-UHFFFAOYSA-N
XLogP3.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 75445993) is 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)Cc1nnc(NCc2cccs2)o1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SIUWMSMEKQZRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-12(2,3)7-10-14-15-11(16-10)13-8-9-5-4-6-17-9/h4-6H,7-8H2,1-3H3,(H,13,15).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 251.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75445993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).