(2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

C19H18N2O3S2 — CID 2385613

IUPAC(2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H18N2O3S2/c22-17(21-10-4-1-5-11-21)12-24-19(23)16-9-8-15(25-16)18-20-13-6-2-3-7-14(13)26-18/h2-3,6-9H,1,4-5,10-12H2
InChIKeyZXJCCWDJALKRDQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.19
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate (PubChem CID 2385613) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
PubChem CID2385613
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H18N2O3S2/c22-17(21-10-4-1-5-11-21)12-24-19(23)16-9-8-15(25-16)18-20-13-6-2-3-7-14(13)26-18/h2-3,6-9H,1,4-5,10-12H2
InChIKeyZXJCCWDJALKRDQ-UHFFFAOYSA-N
XLogP4.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate with MolForge

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Related Compounds

[2-(3-Methoxypropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2413900
[2-(Ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2435855
[2-(Methylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2436417
2-[5-(Morpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole
CID 2468834
(2-Oxooxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2997660
5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
CID 3239915
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 3959653
2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl 1,3-benzothiazole-6-carboxylate
CID 16298300
1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate
CID 1243333
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2088987
[2-(Cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2365053
Thiophen-2-ylmethyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2414829

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate (CID 2385613) is (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate is O=C(OCC(=O)N1CCCCC1)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The InChIKey is ZXJCCWDJALKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-17(21-10-4-1-5-11-21)12-24-19(23)16-9-8-15(25-16)18-20-13-6-2-3-7-14(13)26-18/h2-3,6-9H,1,4-5,10-12H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2385613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).