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

C13H11N3O2S — CID 62716314

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESNc1sc2c(c1-c1nc(-c3ccco3)no1)CCC2
InChIInChI=1S/C13H11N3O2S/c14-11-10(7-3-1-5-9(7)19-11)13-15-12(16-18-13)8-4-2-6-17-8/h2,4,6H,1,3,5,14H2
InChIKeyQVOJMOQFTJHEKB-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.13
Rot. Bonds2

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

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 62716314) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID62716314
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESNc1sc2c(c1-c1nc(-c3ccco3)no1)CCC2
InChIInChI=1S/C13H11N3O2S/c14-11-10(7-3-1-5-9(7)19-11)13-15-12(16-18-13)8-4-2-6-17-8/h2,4,6H,1,3,5,14H2
InChIKeyQVOJMOQFTJHEKB-UHFFFAOYSA-N
XLogP3.13
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(4-Fluorophenyl)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 32037860
3-[[3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 25536309
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide
CID 86264859
2-[[2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 16234693
11-[[3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 25511549
3-[[3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 25536306
2-[[3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 25536314
Ethyl 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 25588105
10-[[5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-11-(3-methoxypropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 25603526
N-(2-(3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)phenyl)thiophene-2-carboxamide
CID 30332108
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(furan-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 30657390
10-[[5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-11-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 30786553

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 62716314) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is Nc1sc2c(c1-c1nc(-c3ccco3)no1)CCC2.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is QVOJMOQFTJHEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-11-10(7-3-1-5-9(7)19-11)13-15-12(16-18-13)8-4-2-6-17-8/h2,4,6H,1,3,5,14H2.
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 273.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 62716314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).