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

C15H18N4OS — CID 103365080

IUPAC2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1nsc(N2CC3CCC(O)C3C2)c1-c1ccncc1
InChIInChI=1S/C15H18N4OS/c16-14-13(9-3-5-17-6-4-9)15(21-18-14)19-7-10-1-2-12(20)11(10)8-19/h3-6,10-12,20H,1-2,7-8H2,(H2,16,18)
InChIKeyRMGYOXBOWUZQPJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.99
Rot. Bonds2

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

2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103365080) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103365080
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1nsc(N2CC3CCC(O)C3C2)c1-c1ccncc1
InChIInChI=1S/C15H18N4OS/c16-14-13(9-3-5-17-6-4-9)15(21-18-14)19-7-10-1-2-12(20)11(10)8-19/h3-6,10-12,20H,1-2,7-8H2,(H2,16,18)
InChIKeyRMGYOXBOWUZQPJ-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103383978
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363094
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
5-[4-(dimethylamino)piperidin-1-yl]-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103360474
5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365792
5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365859
1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol
CID 103366053
2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103365086
5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103361974
5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363190
2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 104540689
1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361611

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103365080) is 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Nc1nsc(N2CC3CCC(O)C3C2)c1-c1ccncc1.
What is the InChIKey of 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is RMGYOXBOWUZQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-14-13(9-3-5-17-6-4-9)15(21-18-14)19-7-10-1-2-12(20)11(10)8-19/h3-6,10-12,20H,1-2,7-8H2,(H2,16,18).
What are the key properties of 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 302.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103365080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).