2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole

C20H22N2OS — CID 9388228

IUPAC2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole
SMILESCOc1cccc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C20H22N2OS/c1-23-17-8-4-6-15(12-17)13-22-11-5-7-16(14-22)20-21-18-9-2-3-10-19(18)24-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3/t16-/m1/s1
InChIKeyULOPXHZVTYNQGF-MRXNPFEDSA-N
MW338.48 g/mol
LogP4.68
Rot. Bonds4

About 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole

2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole (PubChem CID 9388228) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole
PubChem CID9388228
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole
SMILESCOc1cccc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C20H22N2OS/c1-23-17-8-4-6-15(12-17)13-22-11-5-7-16(14-22)20-21-18-9-2-3-10-19(18)24-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3/t16-/m1/s1
InChIKeyULOPXHZVTYNQGF-MRXNPFEDSA-N
XLogP4.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole 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-[(3R)-1-benzylpiperidin-3-yl]-1,3-benzothiazole
CID 9388635
2-[(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole
CID 9388179
2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769521
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole
CID 9388227
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 8587379
2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135843393
2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 17494075
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 17491736
2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 9348819
2-[(3S)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-3-yl]-1,3-benzothiazole
CID 8933015
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-1,3-benzothiazole
CID 75615082

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole (CID 9388228) is 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole is COc1cccc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1.
What is the InChIKey of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole?
The InChIKey is ULOPXHZVTYNQGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-23-17-8-4-6-15(12-17)13-22-11-5-7-16(14-22)20-21-18-9-2-3-10-19(18)24-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole?
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole has a molecular weight of 338.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 9388228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).