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

C16H29Cl2N3O3S — CID 120887692

IUPAC2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2sc(C(C)OC)nc2C)CCNCC1.Cl.Cl
InChIInChI=1S/C16H27N3O3S.2ClH/c1-11-13(23-15(19-11)12(2)22-4)14(20)18-9-16(10-21-3)5-7-17-8-6-16;;/h12,17H,5-10H2,1-4H3,(H,18,20);2*1H
InChIKeyIWIUDNQQVJNWFB-UHFFFAOYSA-N
MW414.40 g/mol
LogP2.75
Rot. Bonds7

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

2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120887692) has the molecular formula C16H29Cl2N3O3S and a molecular weight of 414.40 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120887692
Molecular FormulaC16H29Cl2N3O3S
Molecular Weight414.40 g/mol
Exact Mass413.13
IUPAC Name2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2sc(C(C)OC)nc2C)CCNCC1.Cl.Cl
InChIInChI=1S/C16H27N3O3S.2ClH/c1-11-13(23-15(19-11)12(2)22-4)14(20)18-9-16(10-21-3)5-7-17-8-6-16;;/h12,17H,5-10H2,1-4H3,(H,18,20);2*1H
InChIKeyIWIUDNQQVJNWFB-UHFFFAOYSA-N
XLogP2.75
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120889204
4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
CID 120892171
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 120890315
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120892057
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120890222
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120887692) is 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride is COCC1(CNC(=O)c2sc(C(C)OC)nc2C)CCNCC1.Cl.Cl.
What is the InChIKey of 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is IWIUDNQQVJNWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.2ClH/c1-11-13(23-15(19-11)12(2)22-4)14(20)18-9-16(10-21-3)5-7-17-8-6-16;;/h12,17H,5-10H2,1-4H3,(H,18,20);2*1H.
What are the key properties of 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 414.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120887692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).