5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C13H17N3OS — CID 65401023

IUPAC5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(-c2nc(C3CCC(C)C3)no2)c(N)s1
InChIInChI=1S/C13H17N3OS/c1-7-3-4-9(5-7)12-15-13(17-16-12)10-6-8(2)18-11(10)14/h6-7,9H,3-5,14H2,1-2H3
InChIKeyCSRBMCQQHLEDIY-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.59
Rot. Bonds2

About 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 65401023) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID65401023
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(-c2nc(C3CCC(C)C3)no2)c(N)s1
InChIInChI=1S/C13H17N3OS/c1-7-3-4-9(5-7)12-15-13(17-16-12)10-6-8(2)18-11(10)14/h6-7,9H,3-5,14H2,1-2H3
InChIKeyCSRBMCQQHLEDIY-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65400222
4-bromo-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65400419
4-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401634
5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65402043
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 79659035
[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 65401214
3,6-dichloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050900
5-ethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329640
3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401426
2-bromo-6-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113320
3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751103

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 65401023) is 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1cc(-c2nc(C3CCC(C)C3)no2)c(N)s1.
What is the InChIKey of 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is CSRBMCQQHLEDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-7-3-4-9(5-7)12-15-13(17-16-12)10-6-8(2)18-11(10)14/h6-7,9H,3-5,14H2,1-2H3.
What are the key properties of 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 65401023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).