(2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate

C15H19N3O3S2 — CID 47818747

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCN(C)c1nc2sc(C(=O)OCC(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C15H19N3O3S2/c1-17(2)15-16-13-10(23-15)8-11(22-13)14(20)21-9-12(19)18-6-4-3-5-7-18/h8H,3-7,9H2,1-2H3
InChIKeyASKOAQXKMDNLRQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.59
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 47818747) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID47818747
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCN(C)c1nc2sc(C(=O)OCC(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C15H19N3O3S2/c1-17(2)15-16-13-10(23-15)8-11(22-13)14(20)21-9-12(19)18-6-4-3-5-7-18/h8H,3-7,9H2,1-2H3
InChIKeyASKOAQXKMDNLRQ-UHFFFAOYSA-N
XLogP2.59
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride
CID 119467833
[2-(azocan-1-yl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 55399485
3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 71883303
(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate
CID 2356154
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119590474
(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate
CID 4112626
(2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 18085272
(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate
CID 61323137
[2-(azepan-1-yl)-2-oxoethyl] 2-ethyl-1H-imidazole-5-carboxylate
CID 75395343
(2-oxo-2-piperidin-1-ylethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 7484259
(2-oxo-2-pyrrolidin-1-ylethyl) 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2356253
1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47069873

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate (CID 47818747) is (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate is CN(C)c1nc2sc(C(=O)OCC(=O)N3CCCCC3)cc2s1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is ASKOAQXKMDNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-17(2)15-16-13-10(23-15)8-11(22-13)14(20)21-9-12(19)18-6-4-3-5-7-18/h8H,3-7,9H2,1-2H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 353.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 47818747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).