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

C20H24N4O3S — CID 5201982

IUPACethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccccc2)c2sc3nc(C)nn3c2O)CC1
InChIInChI=1S/C20H24N4O3S/c1-3-27-19(26)15-9-11-23(12-10-15)16(14-7-5-4-6-8-14)17-18(25)24-20(28-17)21-13(2)22-24/h4-8,15-16,25H,3,9-12H2,1-2H3
InChIKeySFEOWDFNRFURBR-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.17
Rot. Bonds5

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

ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate (PubChem CID 5201982) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate
PubChem CID5201982
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Nameethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2ccccc2)c2sc3nc(C)nn3c2O)CC1
InChIInChI=1S/C20H24N4O3S/c1-3-27-19(26)15-9-11-23(12-10-15)16(14-7-5-4-6-8-14)17-18(25)24-20(28-17)21-13(2)22-24/h4-8,15-16,25H,3,9-12H2,1-2H3
InChIKeySFEOWDFNRFURBR-UHFFFAOYSA-N
XLogP3.17
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
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
5-[azepan-1-yl(phenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91632958
5-[(R)-(4-benzhydrylpiperazin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30675291
5-[(R)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7199382
5-[(S)-(4-benzylpiperidin-1-yl)-(4-ethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30482981
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
2-methyl-5-[(R)-morpholin-4-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7099251
methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
CID 16807683
ethyl (3S)-1-[(S)-(3,4-dichlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-3-carboxylate
CID 41105841
ethyl 4-[(S)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 30880522
ethyl (3S)-1-[(S)-(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-3-carboxylate
CID 41105837

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate (CID 5201982) is ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2ccccc2)c2sc3nc(C)nn3c2O)CC1.
What is the InChIKey of ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate?
The InChIKey is SFEOWDFNRFURBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-3-27-19(26)15-9-11-23(12-10-15)16(14-7-5-4-6-8-14)17-18(25)24-20(28-17)21-13(2)22-24/h4-8,15-16,25H,3,9-12H2,1-2H3.
What are the key properties of ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate?
ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate has a molecular weight of 400.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxylate is sourced from PubChem (CID 5201982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).