methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride

C13H19ClN6O2S — CID 120905160

IUPACmethyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cn(C2CCN(Cc3cnc(N)s3)CC2)nn1.Cl
InChIInChI=1S/C13H18N6O2S.ClH/c1-21-12(20)11-8-19(17-16-11)9-2-4-18(5-3-9)7-10-6-15-13(14)22-10;/h6,8-9H,2-5,7H2,1H3,(H2,14,15);1H
InChIKeyFOGKNSGBTLKEJF-UHFFFAOYSA-N
MW358.86 g/mol
LogP1.36
Rot. Bonds4

About methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride

methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride (PubChem CID 120905160) has the molecular formula C13H19ClN6O2S and a molecular weight of 358.86 g/mol. Its IUPAC name is methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride
PubChem CID120905160
Molecular FormulaC13H19ClN6O2S
Molecular Weight358.86 g/mol
Exact Mass358.10
IUPAC Namemethyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cn(C2CCN(Cc3cnc(N)s3)CC2)nn1.Cl
InChIInChI=1S/C13H18N6O2S.ClH/c1-21-12(20)11-8-19(17-16-11)9-2-4-18(5-3-9)7-10-6-15-13(14)22-10;/h6,8-9H,2-5,7H2,1H3,(H2,14,15);1H
InChIKeyFOGKNSGBTLKEJF-UHFFFAOYSA-N
XLogP1.36
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride (CID 120905160) is methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride is COC(=O)c1cn(C2CCN(Cc3cnc(N)s3)CC2)nn1.Cl.
What is the InChIKey of methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride?
The InChIKey is FOGKNSGBTLKEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S.ClH/c1-21-12(20)11-8-19(17-16-11)9-2-4-18(5-3-9)7-10-6-15-13(14)22-10;/h6,8-9H,2-5,7H2,1H3,(H2,14,15);1H.
What are the key properties of methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride?
methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride has a molecular weight of 358.86 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 120905160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).