[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate

C23H25N3O5S2 — CID 55472090

IUPAC[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1
InChIInChI=1S/C23H25N3O5S2/c1-3-30-21(28)15-9-11-26(12-10-15)20(27)14(2)31-22(29)18-13-17-19(32-18)25-23(33-17)24-16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3,(H,24,25)
InChIKeyPCIJILBHNTVECT-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.45
Rot. Bonds7

About [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate

[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 55472090) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID55472090
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC Name[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1
InChIInChI=1S/C23H25N3O5S2/c1-3-30-21(28)15-9-11-26(12-10-15)20(27)14(2)31-22(29)18-13-17-19(32-18)25-23(33-17)24-16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3,(H,24,25)
InChIKeyPCIJILBHNTVECT-UHFFFAOYSA-N
XLogP4.45
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate with MolForge

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Related Compounds

[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 55314280
(3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 34295797
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55537135
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
ethyl 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 55406560
ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
CID 55378993
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate
CID 55314123
ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate
CID 55307202

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate (CID 55472090) is [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1.
What is the InChIKey of [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is PCIJILBHNTVECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-3-30-21(28)15-9-11-26(12-10-15)20(27)14(2)31-22(29)18-13-17-19(32-18)25-23(33-17)24-16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3,(H,24,25).
What are the key properties of [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 487.60 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 55472090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).