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

C17H24Cl2N4O2S — CID 120887407

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cnc(-c3ccccn3)s2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H22N4O2S.2ClH/c1-23-12-17(5-8-18-9-6-17)11-21-15(22)14-10-20-16(24-14)13-4-2-3-7-19-13;;/h2-4,7,10,18H,5-6,8-9,11-12H2,1H3,(H,21,22);2*1H
InChIKeySXPPUTJIKFPPIB-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.79
Rot. Bonds6

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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120887407) 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-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120887407
Molecular FormulaC17H24Cl2N4O2S
Molecular Weight419.38 g/mol
Exact Mass418.10
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cnc(-c3ccccn3)s2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H22N4O2S.2ClH/c1-23-12-17(5-8-18-9-6-17)11-21-15(22)14-10-20-16(24-14)13-4-2-3-7-19-13;;/h2-4,7,10,18H,5-6,8-9,11-12H2,1H3,(H,21,22);2*1H
InChIKeySXPPUTJIKFPPIB-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-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120889712
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
CID 120889018
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 120888008
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 120891616
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 120890644
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
CID 120890313
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120887407) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cnc(-c3ccccn3)s2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is SXPPUTJIKFPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.2ClH/c1-23-12-17(5-8-18-9-6-17)11-21-15(22)14-10-20-16(24-14)13-4-2-3-7-19-13;;/h2-4,7,10,18H,5-6,8-9,11-12H2,1H3,(H,21,22);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-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-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120887407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).