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

C16H19N3OS — CID 103383978

IUPAC2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1nsc(N2CC3CCC(O)C3C2)c1-c1ccccc1
InChIInChI=1S/C16H19N3OS/c17-15-14(10-4-2-1-3-5-10)16(21-18-15)19-8-11-6-7-13(20)12(11)9-19/h1-5,11-13,20H,6-9H2,(H2,17,18)
InChIKeyWCZQSYVQEFVYSP-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.60
Rot. Bonds2

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

2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103383978) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(3-amino-4-phenyl-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-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103383978
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1nsc(N2CC3CCC(O)C3C2)c1-c1ccccc1
InChIInChI=1S/C16H19N3OS/c17-15-14(10-4-2-1-3-5-10)16(21-18-15)19-8-11-6-7-13(20)12(11)9-19/h1-5,11-13,20H,6-9H2,(H2,17,18)
InChIKeyWCZQSYVQEFVYSP-UHFFFAOYSA-N
XLogP2.60
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103381127
5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
CID 103379473
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103384010
2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol
CID 107229416
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
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
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363094
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
CID 103363092
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103382110
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
CID 113399435

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-phenyl-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-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103383978) is 2-(3-amino-4-phenyl-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-phenyl-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-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Nc1nsc(N2CC3CCC(O)C3C2)c1-c1ccccc1.
What is the InChIKey of 2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is WCZQSYVQEFVYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-15-14(10-4-2-1-3-5-10)16(21-18-15)19-8-11-6-7-13(20)12(11)9-19/h1-5,11-13,20H,6-9H2,(H2,17,18).
What are the key properties of 2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 301.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103383978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).