5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole

C12H17N3S — CID 71854958

IUPAC5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole
SMILESC1CC2CN(c3nc(C4CC4)ns3)CC2C1
InChIInChI=1S/C12H17N3S/c1-2-9-6-15(7-10(9)3-1)12-13-11(14-16-12)8-4-5-8/h8-10H,1-7H2
InChIKeyBOWWEOJEOKNNMM-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.65
Rot. Bonds2

About 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 71854958) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID71854958
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole
SMILESC1CC2CN(c3nc(C4CC4)ns3)CC2C1
InChIInChI=1S/C12H17N3S/c1-2-9-6-15(7-10(9)3-1)12-13-11(14-16-12)8-4-5-8/h8-10H,1-7H2
InChIKeyBOWWEOJEOKNNMM-UHFFFAOYSA-N
XLogP2.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole (CID 71854958) is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole is C1CC2CN(c3nc(C4CC4)ns3)CC2C1.
What is the InChIKey of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is BOWWEOJEOKNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-2-9-6-15(7-10(9)3-1)12-13-11(14-16-12)8-4-5-8/h8-10H,1-7H2.
What are the key properties of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole?
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 235.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 71854958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).