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

C19H21ClN4O3S — CID 16807683

IUPACmethyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(c2ccccc2Cl)c2sc3nc(C)nn3c2O)CC1
InChIInChI=1S/C19H21ClN4O3S/c1-11-21-19-24(22-11)17(25)16(28-19)15(13-5-3-4-6-14(13)20)23-9-7-12(8-10-23)18(26)27-2/h3-6,12,15,25H,7-10H2,1-2H3
InChIKeyDJWIFCYHIDHVJJ-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.43
Rot. Bonds4

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

methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate (PubChem CID 16807683) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
PubChem CID16807683
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Namemethyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(c2ccccc2Cl)c2sc3nc(C)nn3c2O)CC1
InChIInChI=1S/C19H21ClN4O3S/c1-11-21-19-24(22-11)17(25)16(28-19)15(13-5-3-4-6-14(13)20)23-9-7-12(8-10-23)18(26)27-2/h3-6,12,15,25H,7-10H2,1-2H3
InChIKeyDJWIFCYHIDHVJJ-UHFFFAOYSA-N
XLogP3.43
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-((3-Fluorophenyl)(4-methylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3235996
5-[(2,6-Dimethylmorpholin-4-yl)(3-fluorophenyl)methyl]-2-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3236594
5-((3-Fluorophenyl)(morpholino)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3237227
5-[(3-Fluorophenyl)(3-methylpiperidin-1-yl)methyl]-2-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3239417
5-((4-Hydroxypiperidin-1-yl)(phenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3239506
5-((3-Fluorophenyl)(piperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3240055
5-((4-Chlorophenyl)(2,6-dimethylmorpholino)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3240335
5-((4-Chlorophenyl)(morpholino)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3240948
5-[[4-(2-Hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4168761
Ethyl 4-((6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)(4-isopropylphenyl)methyl)piperazine-1-carboxylate
CID 4289384
5-((4-(2-Hydroxyethyl)piperazin-1-yl)(phenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4652294
Methyl 1-((6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)(thiophen-2-yl)methyl)piperidine-4-carboxylate
CID 5073074

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of 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) is methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(c2ccccc2Cl)c2sc3nc(C)nn3c2O)CC1.
What is the InChIKey of methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate?
The InChIKey is DJWIFCYHIDHVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-11-21-19-24(22-11)17(25)16(28-19)15(13-5-3-4-6-14(13)20)23-9-7-12(8-10-23)18(26)27-2/h3-6,12,15,25H,7-10H2,1-2H3.
What are the key properties of methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate?
methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate has a molecular weight of 420.92 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 16807683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).