N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C17H24Cl2N4O2S — CID 120889712

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cnc(-c3ccncc3)s2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H22N4O2S.2ClH/c1-23-12-17(4-8-19-9-5-17)11-21-15(22)14-10-20-16(24-14)13-2-6-18-7-3-13;;/h2-3,6-7,10,19H,4-5,8-9,11-12H2,1H3,(H,21,22);2*1H
InChIKeyUWLATOMQBMIBFV-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.79
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120889712) has the molecular formula C17H24Cl2N4O2S and a molecular weight of 419.38 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120889712
Molecular FormulaC17H24Cl2N4O2S
Molecular Weight419.38 g/mol
Exact Mass418.10
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cnc(-c3ccncc3)s2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H22N4O2S.2ClH/c1-23-12-17(4-8-19-9-5-17)11-21-15(22)14-10-20-16(24-14)13-2-6-18-7-3-13;;/h2-3,6-7,10,19H,4-5,8-9,11-12H2,1H3,(H,21,22);2*1H
InChIKeyUWLATOMQBMIBFV-UHFFFAOYSA-N
XLogP2.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120887407
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120888366
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 120888439
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
CID 120887674
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120889712) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cnc(-c3ccncc3)s2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is UWLATOMQBMIBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.2ClH/c1-23-12-17(4-8-19-9-5-17)11-21-15(22)14-10-20-16(24-14)13-2-6-18-7-3-13;;/h2-3,6-7,10,19H,4-5,8-9,11-12H2,1H3,(H,21,22);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 419.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120889712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).