2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole

C17H17N3O2S3 — CID 32681682

IUPAC2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
SMILESO=S(=O)(c1ccc(Sc2nc3ccccc3s2)nc1)N1CCCCC1
InChIInChI=1S/C17H17N3O2S3/c21-25(22,20-10-4-1-5-11-20)13-8-9-16(18-12-13)24-17-19-14-6-2-3-7-15(14)23-17/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyBYZMPPWAGCFUPT-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.02
Rot. Bonds4

About 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole

2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole (PubChem CID 32681682) has the molecular formula C17H17N3O2S3 and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
PubChem CID32681682
Molecular FormulaC17H17N3O2S3
Molecular Weight391.54 g/mol
Exact Mass391.05
IUPAC Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
SMILESO=S(=O)(c1ccc(Sc2nc3ccccc3s2)nc1)N1CCCCC1
InChIInChI=1S/C17H17N3O2S3/c21-25(22,20-10-4-1-5-11-20)13-8-9-16(18-12-13)24-17-19-14-6-2-3-7-15(14)23-17/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyBYZMPPWAGCFUPT-UHFFFAOYSA-N
XLogP4.02
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-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

1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 17494651
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9030317
2-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
CID 2130217
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
2-[(1S)-1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 34041712
[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
CID 80651110
1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole
CID 24630092
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
CID 46815210
N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 38969728
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809634
4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]sulfonylmorpholine
CID 5136024
2-(9H-fluoren-9-ylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594099

Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole?
The IUPAC name of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole (CID 32681682) is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole is O=S(=O)(c1ccc(Sc2nc3ccccc3s2)nc1)N1CCCCC1.
What is the InChIKey of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole?
The InChIKey is BYZMPPWAGCFUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S3/c21-25(22,20-10-4-1-5-11-20)13-8-9-16(18-12-13)24-17-19-14-6-2-3-7-15(14)23-17/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole?
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole has a molecular weight of 391.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole is sourced from PubChem (CID 32681682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).