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

C13H13N5OS — CID 65196649

IUPAC3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCn1ccc(-c2noc(-c3c(N)sc4c3CCC4)n2)n1
InChIInChI=1S/C13H13N5OS/c1-18-6-5-8(16-18)12-15-13(19-17-12)10-7-3-2-4-9(7)20-11(10)14/h5-6H,2-4,14H2,1H3
InChIKeyIHDYCAFHVWCAOP-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.27
Rot. Bonds2

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

3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 65196649) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID65196649
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCn1ccc(-c2noc(-c3c(N)sc4c3CCC4)n2)n1
InChIInChI=1S/C13H13N5OS/c1-18-6-5-8(16-18)12-15-13(19-17-12)10-7-3-2-4-9(7)20-11(10)14/h5-6H,2-4,14H2,1H3
InChIKeyIHDYCAFHVWCAOP-UHFFFAOYSA-N
XLogP2.27
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 65196649) is 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is Cn1ccc(-c2noc(-c3c(N)sc4c3CCC4)n2)n1.
What is the InChIKey of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is IHDYCAFHVWCAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-18-6-5-8(16-18)12-15-13(19-17-12)10-7-3-2-4-9(7)20-11(10)14/h5-6H,2-4,14H2,1H3.
What are the key properties of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 65196649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).