2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

C19H28Cl2N4OS — CID 120646306

IUPAC2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1csc(CCN)n1)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H26N4OS.2ClH/c1-22(19(24)17-14-25-18(21-17)7-10-20)16-8-11-23(12-9-16)13-15-5-3-2-4-6-15;;/h2-6,14,16H,7-13,20H2,1H3;2*1H
InChIKeyFHOKTGOPQAYLOA-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120646306) has the molecular formula C19H28Cl2N4OS and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120646306
Molecular FormulaC19H28Cl2N4OS
Molecular Weight431.43 g/mol
Exact Mass430.14
IUPAC Name2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1csc(CCN)n1)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H26N4OS.2ClH/c1-22(19(24)17-14-25-18(21-17)7-10-20)16-8-11-23(12-9-16)13-15-5-3-2-4-6-15;;/h2-6,14,16H,7-13,20H2,1H3;2*1H
InChIKeyFHOKTGOPQAYLOA-UHFFFAOYSA-N
XLogP3.22
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[(1-benzylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645364
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 120615804
2-(2-aminoethyl)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647090
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617053
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
2-(2-aminoethyl)-N-[(4-benzylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639786
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 120617054
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120616228

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120646306) is 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is CN(C(=O)c1csc(CCN)n1)C1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is FHOKTGOPQAYLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.2ClH/c1-22(19(24)17-14-25-18(21-17)7-10-20)16-8-11-23(12-9-16)13-15-5-3-2-4-6-15;;/h2-6,14,16H,7-13,20H2,1H3;2*1H.
What are the key properties of 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 431.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120646306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).