[2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

C15H18N2OS — CID 155980345

IUPAC[2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESOCC12CCCC1CN(c1nc3ccccc3s1)C2
InChIInChI=1S/C15H18N2OS/c18-10-15-7-3-4-11(15)8-17(9-15)14-16-12-5-1-2-6-13(12)19-14/h1-2,5-6,11,18H,3-4,7-10H2
InChIKeyKZKWJOVEOWGOAL-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.90
Rot. Bonds2

About [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

[2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (PubChem CID 155980345) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
PubChem CID155980345
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESOCC12CCCC1CN(c1nc3ccccc3s1)C2
InChIInChI=1S/C15H18N2OS/c18-10-15-7-3-4-11(15)8-17(9-15)14-16-12-5-1-2-6-13(12)19-14/h1-2,5-6,11,18H,3-4,7-10H2
InChIKeyKZKWJOVEOWGOAL-UHFFFAOYSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 155980244
(2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol
CID 155980325
[(3aR,7aR)-2-(6-chloro-1,3-benzothiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137345071
(3aS,6aS)-5-acetyl-2-(1,3-benzothiazol-2-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50960898
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
[1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 56744626
[(3R,4R)-1-(1,3-benzothiazol-2-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70734178
(2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol
CID 163343509
1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
(3S,4S)-1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 155507808

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (CID 155980345) is [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is OCC12CCCC1CN(c1nc3ccccc3s1)C2.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The InChIKey is KZKWJOVEOWGOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-10-15-7-3-4-11(15)8-17(9-15)14-16-12-5-1-2-6-13(12)19-14/h1-2,5-6,11,18H,3-4,7-10H2.
What are the key properties of [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
[2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol has a molecular weight of 274.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 155980345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).