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

C10H13N3OS — CID 29034351

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
SMILESCC(C)(C)c1noc(-c2sccc2N)n1
InChIInChI=1S/C10H13N3OS/c1-10(2,3)9-12-8(14-13-9)7-6(11)4-5-15-7/h4-5H,11H2,1-3H3
InChIKeyOYIUTPUESJYWLE-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.68
Rot. Bonds1

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

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine (PubChem CID 29034351) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
PubChem CID29034351
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
SMILESCC(C)(C)c1noc(-c2sccc2N)n1
InChIInChI=1S/C10H13N3OS/c1-10(2,3)9-12-8(14-13-9)7-6(11)4-5-15-7/h4-5H,11H2,1-3H3
InChIKeyOYIUTPUESJYWLE-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

2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116740355
5-(3-aminothiophen-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799632
2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 79975488
5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790092
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
CID 138006243
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43475152
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 62329730
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65423267
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-chloroaniline
CID 29269319
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65331281

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine (CID 29034351) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine is CC(C)(C)c1noc(-c2sccc2N)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine?
The InChIKey is OYIUTPUESJYWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-10(2,3)9-12-8(14-13-9)7-6(11)4-5-15-7/h4-5H,11H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-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 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine is sourced from PubChem (CID 29034351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).