1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone

C21H19ClN6OS — CID 40891698

IUPAC1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1
InChIInChI=1S/C21H19ClN6OS/c22-16-8-2-1-7-15(16)20-24-26-28(25-20)13-19(29)27-11-5-6-14(12-27)21-23-17-9-3-4-10-18(17)30-21/h1-4,7-10,14H,5-6,11-13H2/t14-/m1/s1
InChIKeyFUDGBKZXEHOXPL-CQSZACIVSA-N
MW438.94 g/mol
LogP4.01
Rot. Bonds4

About 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone

1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone (PubChem CID 40891698) has the molecular formula C21H19ClN6OS and a molecular weight of 438.94 g/mol. Its IUPAC name is 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone
PubChem CID40891698
Molecular FormulaC21H19ClN6OS
Molecular Weight438.94 g/mol
Exact Mass438.10
IUPAC Name1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1
InChIInChI=1S/C21H19ClN6OS/c22-16-8-2-1-7-15(16)20-24-26-28(25-20)13-19(29)27-11-5-6-14(12-27)21-23-17-9-3-4-10-18(17)30-21/h1-4,7-10,14H,5-6,11-13H2/t14-/m1/s1
InChIKeyFUDGBKZXEHOXPL-CQSZACIVSA-N
XLogP4.01
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone 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-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 41013766
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 9233059
1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
CID 78835543
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]pentane-1,4-dione
CID 9235219
(3R)-3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
CID 9235506
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 40804818
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7350524
3-[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 42907207
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94124003
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 9235840
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-cyclohexylpropan-1-one
CID 9235881
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 9013099

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone (CID 40891698) is 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1.
What is the InChIKey of 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone?
The InChIKey is FUDGBKZXEHOXPL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19ClN6OS/c22-16-8-2-1-7-15(16)20-24-26-28(25-20)13-19(29)27-11-5-6-14(12-27)21-23-17-9-3-4-10-18(17)30-21/h1-4,7-10,14H,5-6,11-13H2/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone?
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone has a molecular weight of 438.94 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 40891698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).