(5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

C10H14N4O2S — CID 113399539

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
SMILESNc1nnc(C(=O)N2CC3CCC(O)C3C2)s1
InChIInChI=1S/C10H14N4O2S/c11-10-13-12-8(17-10)9(16)14-3-5-1-2-7(15)6(5)4-14/h5-7,15H,1-4H2,(H2,11,13)
InChIKeyRPOSCGZIJQQYFY-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.04
Rot. Bonds1

About (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

(5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone (PubChem CID 113399539) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
PubChem CID113399539
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
SMILESNc1nnc(C(=O)N2CC3CCC(O)C3C2)s1
InChIInChI=1S/C10H14N4O2S/c11-10-13-12-8(17-10)9(16)14-3-5-1-2-7(15)6(5)4-14/h5-7,15H,1-4H2,(H2,11,13)
InChIKeyRPOSCGZIJQQYFY-UHFFFAOYSA-N
XLogP-0.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone (CID 113399539) is (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone is Nc1nnc(C(=O)N2CC3CCC(O)C3C2)s1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The InChIKey is RPOSCGZIJQQYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c11-10-13-12-8(17-10)9(16)14-3-5-1-2-7(15)6(5)4-14/h5-7,15H,1-4H2,(H2,11,13).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone is sourced from PubChem (CID 113399539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).