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

C13H24Cl2N4O2S — CID 119861365

IUPAC2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOCCN1CCC(NC(=O)c2csc(CN)n2)CC1.Cl.Cl
InChIInChI=1S/C13H22N4O2S.2ClH/c1-19-7-6-17-4-2-10(3-5-17)15-13(18)11-9-20-12(8-14)16-11;;/h9-10H,2-8,14H2,1H3,(H,15,18);2*1H
InChIKeyYLHOKLDSHQZLOG-UHFFFAOYSA-N
MW371.33 g/mol
LogP1.29
Rot. Bonds6

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

2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119861365) has the molecular formula C13H24Cl2N4O2S and a molecular weight of 371.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119861365
Molecular FormulaC13H24Cl2N4O2S
Molecular Weight371.33 g/mol
Exact Mass370.10
IUPAC Name2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOCCN1CCC(NC(=O)c2csc(CN)n2)CC1.Cl.Cl
InChIInChI=1S/C13H22N4O2S.2ClH/c1-19-7-6-17-4-2-10(3-5-17)15-13(18)11-9-20-12(8-14)16-11;;/h9-10H,2-8,14H2,1H3,(H,15,18);2*1H
InChIKeyYLHOKLDSHQZLOG-UHFFFAOYSA-N
XLogP1.29
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119864834
2-(aminomethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820666
2-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 103810798
2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide
CID 114118049
2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119862945
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119887540

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119861365) is 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride is COCCN1CCC(NC(=O)c2csc(CN)n2)CC1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is YLHOKLDSHQZLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.2ClH/c1-19-7-6-17-4-2-10(3-5-17)15-13(18)11-9-20-12(8-14)16-11;;/h9-10H,2-8,14H2,1H3,(H,15,18);2*1H.
What are the key properties of 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 371.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119861365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).