5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine

C13H17N3OS — CID 43100925

IUPAC5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(C2CCCCC2)no1
InChIInChI=1S/C13H17N3OS/c1-8-7-10(14)18-11(8)13-15-12(16-17-13)9-5-3-2-4-6-9/h7,9H,2-6,14H2,1H3
InChIKeyGSQXYIQSJXAFAZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.74
Rot. Bonds2

About 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine

5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine (PubChem CID 43100925) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
PubChem CID43100925
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(C2CCCCC2)no1
InChIInChI=1S/C13H17N3OS/c1-8-7-10(14)18-11(8)13-15-12(16-17-13)9-5-3-2-4-6-9/h7,9H,2-6,14H2,1H3
InChIKeyGSQXYIQSJXAFAZ-UHFFFAOYSA-N
XLogP3.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 65395546
5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 80602727
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
CID 55111608
4-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43670391
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
CID 64982375
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline
CID 82830646
5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 43150811
5-(5-amino-3-methylthiophen-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808203
2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine?
The IUPAC name of 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine (CID 43100925) is 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine.
What is the SMILES notation for 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine?
The canonical SMILES for 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine is Cc1cc(N)sc1-c1nc(C2CCCCC2)no1.
What is the InChIKey of 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine?
The InChIKey is GSQXYIQSJXAFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-7-10(14)18-11(8)13-15-12(16-17-13)9-5-3-2-4-6-9/h7,9H,2-6,14H2,1H3.
What are the key properties of 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine?
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine is sourced from PubChem (CID 43100925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).