1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol

C12H14N2OS — CID 154580774

IUPAC1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
SMILESCc1ccc2nc(N3CCC(O)C3)sc2c1
InChIInChI=1S/C12H14N2OS/c1-8-2-3-10-11(6-8)16-12(13-10)14-5-4-9(15)7-14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyZKNASHCLCTXGRY-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.18
Rot. Bonds1

About 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol

1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol (PubChem CID 154580774) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
PubChem CID154580774
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
SMILESCc1ccc2nc(N3CCC(O)C3)sc2c1
InChIInChI=1S/C12H14N2OS/c1-8-2-3-10-11(6-8)16-12(13-10)14-5-4-9(15)7-14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyZKNASHCLCTXGRY-UHFFFAOYSA-N
XLogP2.18
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol 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

1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol
CID 70705789
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328840
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol
CID 66906067
N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903419
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580823
1-(5-nitro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 71649797

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol (CID 154580774) is 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol is Cc1ccc2nc(N3CCC(O)C3)sc2c1.
What is the InChIKey of 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is ZKNASHCLCTXGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-2-3-10-11(6-8)16-12(13-10)14-5-4-9(15)7-14/h2-3,6,9,15H,4-5,7H2,1H3.
What are the key properties of 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol?
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 234.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 154580774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).