(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C16H16N4O3S2 — CID 8646507

IUPAC(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
InChIInChI=1S/C16H16N4O3S2/c21-15(18-16-17-7-9-24-16)11-4-3-8-20(10-11)14-12-5-1-2-6-13(12)25(22,23)19-14/h1-2,5-7,9,11H,3-4,8,10H2,(H,17,18,21)/t11-/m0/s1
InChIKeyIDYWFKPFZWNHGX-NSHDSACASA-N
MW376.46 g/mol
LogP1.94
Rot. Bonds2

About (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 8646507) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID8646507
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
InChIInChI=1S/C16H16N4O3S2/c21-15(18-16-17-7-9-24-16)11-4-3-8-20(10-11)14-12-5-1-2-6-13(12)25(22,23)19-14/h1-2,5-7,9,11H,3-4,8,10H2,(H,17,18,21)/t11-/m0/s1
InChIKeyIDYWFKPFZWNHGX-NSHDSACASA-N
XLogP1.94
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-cyclopropyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 8850280
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-iodophenyl)piperidine-3-carboxamide
CID 43033294
(3S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 26006093
(3R)-N-(3,5-difluorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 26003328
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 35009035
N-(5-chloro-2-pyridinyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43034610
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 55405268
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 46610054
N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033280
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-hydroxy-4-methylphenyl)piperidine-3-carboxamide
CID 8897495
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 7131081
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43033285

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 8646507) is (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1.
What is the InChIKey of (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is IDYWFKPFZWNHGX-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N4O3S2/c21-15(18-16-17-7-9-24-16)11-4-3-8-20(10-11)14-12-5-1-2-6-13(12)25(22,23)19-14/h1-2,5-7,9,11H,3-4,8,10H2,(H,17,18,21)/t11-/m0/s1.
What are the key properties of (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 8646507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).