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

C17H20N2OS — CID 115562471

IUPAC[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CC3CCCC3C2)nc1-c1ccccc1
InChIInChI=1S/C17H20N2OS/c20-11-15-16(12-5-2-1-3-6-12)18-17(21-15)19-9-13-7-4-8-14(13)10-19/h1-3,5-6,13-14,20H,4,7-11H2
InChIKeyYMDAXCDJNCAXHF-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.54
Rot. Bonds3

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

[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol (PubChem CID 115562471) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
PubChem CID115562471
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CC3CCCC3C2)nc1-c1ccccc1
InChIInChI=1S/C17H20N2OS/c20-11-15-16(12-5-2-1-3-6-12)18-17(21-15)19-9-13-7-4-8-14(13)10-19/h1-3,5-6,13-14,20H,4,7-11H2
InChIKeyYMDAXCDJNCAXHF-UHFFFAOYSA-N
XLogP3.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol (CID 115562471) is [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol is OCc1sc(N2CC3CCCC3C2)nc1-c1ccccc1.
What is the InChIKey of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The InChIKey is YMDAXCDJNCAXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-11-15-16(12-5-2-1-3-6-12)18-17(21-15)19-9-13-7-4-8-14(13)10-19/h1-3,5-6,13-14,20H,4,7-11H2.
What are the key properties of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol has a molecular weight of 300.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 115562471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).