5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole

C18H23N3OS — CID 175656775

IUPAC5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3scnc3C)C[C@@H]21
InChIInChI=1S/C18H23N3OS/c1-12-16(4-3-7-19-12)22-17-6-5-14-8-21(9-15(14)17)10-18-13(2)20-11-23-18/h3-4,7,11,14-15,17H,5-6,8-10H2,1-2H3/t14-,15+,17-/m1/s1
InChIKeyZDUDTMOJHWPSNS-HLLBOEOZSA-N
MW329.47 g/mol
LogP3.44
Rot. Bonds4

About 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole

5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 175656775) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID175656775
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3scnc3C)C[C@@H]21
InChIInChI=1S/C18H23N3OS/c1-12-16(4-3-7-19-12)22-17-6-5-14-8-21(9-15(14)17)10-18-13(2)20-11-23-18/h3-4,7,11,14-15,17H,5-6,8-10H2,1-2H3/t14-,15+,17-/m1/s1
InChIKeyZDUDTMOJHWPSNS-HLLBOEOZSA-N
XLogP3.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole (CID 175656775) is 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3scnc3C)C[C@@H]21.
What is the InChIKey of 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is ZDUDTMOJHWPSNS-HLLBOEOZSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-16(4-3-7-19-12)22-17-6-5-14-8-21(9-15(14)17)10-18-13(2)20-11-23-18/h3-4,7,11,14-15,17H,5-6,8-10H2,1-2H3/t14-,15+,17-/m1/s1.
What are the key properties of 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole?
5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 329.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3aR,4R,6aS)-4-[(2-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 175656775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).