5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

C10H13N3OS — CID 43475152

IUPAC5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESCC(C)(C)c1noc(-c2ccc(N)s2)n1
InChIInChI=1S/C10H13N3OS/c1-10(2,3)9-12-8(14-13-9)6-4-5-7(11)15-6/h4-5H,11H2,1-3H3
InChIKeyGBBQTDYKCHARES-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.68
Rot. Bonds1

About 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (PubChem CID 43475152) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
PubChem CID43475152
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESCC(C)(C)c1noc(-c2ccc(N)s2)n1
InChIInChI=1S/C10H13N3OS/c1-10(2,3)9-12-8(14-13-9)6-4-5-7(11)15-6/h4-5H,11H2,1-3H3
InChIKeyGBBQTDYKCHARES-UHFFFAOYSA-N
XLogP2.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372756
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
CID 29034351
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62472715
5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 113454313
5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65131006
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43514715
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 114329273
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-chloroaniline
CID 29269319
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 102949575
5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65402043
5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 62717589
5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
CID 146123416

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The IUPAC name of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (CID 43475152) is 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.
What is the SMILES notation for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The canonical SMILES for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is CC(C)(C)c1noc(-c2ccc(N)s2)n1.
What is the InChIKey of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The InChIKey is GBBQTDYKCHARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-10(2,3)9-12-8(14-13-9)6-4-5-7(11)15-6/h4-5H,11H2,1-3H3.
What are the key properties of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine has a molecular weight of 223.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is sourced from PubChem (CID 43475152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).