cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine

C13H15N3OS — CID 61324445

IUPACcyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(-c2cc3c(s2)CCC3)n1)C1CC1
InChIInChI=1S/C13H15N3OS/c14-11(7-4-5-7)12-15-13(17-16-12)10-6-8-2-1-3-9(8)18-10/h6-7,11H,1-5,14H2
InChIKeyXNLJJPNVXZAESI-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.70
Rot. Bonds3

About cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine

cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61324445) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61324445
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Namecyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(-c2cc3c(s2)CCC3)n1)C1CC1
InChIInChI=1S/C13H15N3OS/c14-11(7-4-5-7)12-15-13(17-16-12)10-6-8-2-1-3-9(8)18-10/h6-7,11H,1-5,14H2
InChIKeyXNLJJPNVXZAESI-UHFFFAOYSA-N
XLogP2.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61324445) is cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(-c2cc3c(s2)CCC3)n1)C1CC1.
What is the InChIKey of cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is XNLJJPNVXZAESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-11(7-4-5-7)12-15-13(17-16-12)10-6-8-2-1-3-9(8)18-10/h6-7,11H,1-5,14H2.
What are the key properties of cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 261.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61324445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).