ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate

C19H24N4O3S2 — CID 18576052

IUPACethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cccs2)c2sc3nc(CC)nn3c2O)CC1
InChIInChI=1S/C19H24N4O3S2/c1-3-14-20-19-23(21-14)17(24)16(28-19)15(13-6-5-11-27-13)22-9-7-12(8-10-22)18(25)26-4-2/h5-6,11-12,15,24H,3-4,7-10H2,1-2H3
InChIKeyYMCOMMGUPURAHT-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.48
Rot. Bonds6

About ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate

ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate (PubChem CID 18576052) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate
PubChem CID18576052
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Nameethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cccs2)c2sc3nc(CC)nn3c2O)CC1
InChIInChI=1S/C19H24N4O3S2/c1-3-14-20-19-23(21-14)17(24)16(28-19)15(13-6-5-11-27-13)22-9-7-12(8-10-22)18(25)26-4-2/h5-6,11-12,15,24H,3-4,7-10H2,1-2H3
InChIKeyYMCOMMGUPURAHT-UHFFFAOYSA-N
XLogP3.48
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

5-[(S)-(4-benzylpiperidin-1-yl)-thiophen-2-ylmethyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 27280364
2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576148
methyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxylate
CID 18576063
ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate
CID 5201982
methyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-ethylphenyl)methyl]piperidine-4-carboxylate
CID 18576064
methyl 1-[(R)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-ethylphenyl)methyl]piperidine-4-carboxylate
CID 30676271
methyl 1-[(S)-(4-ethoxyphenyl)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
CID 30676321
methyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-fluorophenyl)methyl]piperidine-4-carboxylate
CID 18576060
ethyl 1-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(2-methylphenyl)methyl]piperidine-4-carboxylate
CID 7475596
ethyl (3S)-1-[(R)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylate
CID 51474132
ethyl 1-[(4-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
CID 4114098
methyl 1-[(S)-(3,4-dimethoxyphenyl)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
CID 30676351

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate (CID 18576052) is ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2cccs2)c2sc3nc(CC)nn3c2O)CC1.
What is the InChIKey of ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate?
The InChIKey is YMCOMMGUPURAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-3-14-20-19-23(21-14)17(24)16(28-19)15(13-6-5-11-27-13)22-9-7-12(8-10-22)18(25)26-4-2/h5-6,11-12,15,24H,3-4,7-10H2,1-2H3.
What are the key properties of ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate?
ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate has a molecular weight of 420.56 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate is sourced from PubChem (CID 18576052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).