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

C10H15N3OS — CID 102768954

IUPAC2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1cnc(N2CC3CCC(O)C3C2)s1
InChIInChI=1S/C10H15N3OS/c11-9-3-12-10(15-9)13-4-6-1-2-8(14)7(6)5-13/h3,6-8,14H,1-2,4-5,11H2
InChIKeySXYJWJKSGKTMDY-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.93
Rot. Bonds1

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

2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 102768954) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID102768954
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1cnc(N2CC3CCC(O)C3C2)s1
InChIInChI=1S/C10H15N3OS/c11-9-3-12-10(15-9)13-4-6-1-2-8(14)7(6)5-13/h3,6-8,14H,1-2,4-5,11H2
InChIKeySXYJWJKSGKTMDY-UHFFFAOYSA-N
XLogP0.93
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 102768954) is 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Nc1cnc(N2CC3CCC(O)C3C2)s1.
What is the InChIKey of 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is SXYJWJKSGKTMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-9-3-12-10(15-9)13-4-6-1-2-8(14)7(6)5-13/h3,6-8,14H,1-2,4-5,11H2.
What are the key properties of 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 225.32 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 102768954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).