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

C14H19N3OS — CID 65389514

IUPAC3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(C3CCCCCC3)no2)c(N)s1
InChIInChI=1S/C14H19N3OS/c1-9-8-11(12(15)19-9)14-16-13(17-18-14)10-6-4-2-3-5-7-10/h8,10H,2-7,15H2,1H3
InChIKeyYNRZQMSRQALSKD-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.13
Rot. Bonds2

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

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine (PubChem CID 65389514) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
PubChem CID65389514
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(C3CCCCCC3)no2)c(N)s1
InChIInChI=1S/C14H19N3OS/c1-9-8-11(12(15)19-9)14-16-13(17-18-14)10-6-4-2-3-5-7-10/h8,10H,2-7,15H2,1H3
InChIKeyYNRZQMSRQALSKD-UHFFFAOYSA-N
XLogP4.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401023
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
CID 43100925
5-ethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329640
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 79659035
5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 80602727
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
CID 64982375
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluoroaniline
CID 80609851
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-methylpyrazol-5-amine
CID 54939679

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine (CID 65389514) is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine is Cc1cc(-c2nc(C3CCCCCC3)no2)c(N)s1.
What is the InChIKey of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine?
The InChIKey is YNRZQMSRQALSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-8-11(12(15)19-9)14-16-13(17-18-14)10-6-4-2-3-5-7-10/h8,10H,2-7,15H2,1H3.
What are the key properties of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine?
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine has a molecular weight of 277.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine is sourced from PubChem (CID 65389514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).