2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C18H28Cl2N4OS — CID 120640468

IUPAC2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1csc(CCN)n1.Cl.Cl
InChIInChI=1S/C18H26N4OS.2ClH/c1-3-22(4-2)12-15-8-6-5-7-14(15)11-20-18(23)16-13-24-17(21-16)9-10-19;;/h5-8,13H,3-4,9-12,19H2,1-2H3,(H,20,23);2*1H
InChIKeyVUDOWQGVOGPMGQ-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.26
Rot. Bonds9

About 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120640468) has the molecular formula C18H28Cl2N4OS and a molecular weight of 419.42 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120640468
Molecular FormulaC18H28Cl2N4OS
Molecular Weight419.42 g/mol
Exact Mass418.14
IUPAC Name2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1csc(CCN)n1.Cl.Cl
InChIInChI=1S/C18H26N4OS.2ClH/c1-3-22(4-2)12-15-8-6-5-7-14(15)11-20-18(23)16-13-24-17(21-16)9-10-19;;/h5-8,13H,3-4,9-12,19H2,1-2H3,(H,20,23);2*1H
InChIKeyVUDOWQGVOGPMGQ-UHFFFAOYSA-N
XLogP3.26
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618225
2-(2-aminoethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389365
2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622303
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120640468) is 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(CC)Cc1ccccc1CNC(=O)c1csc(CCN)n1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is VUDOWQGVOGPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS.2ClH/c1-3-22(4-2)12-15-8-6-5-7-14(15)11-20-18(23)16-13-24-17(21-16)9-10-19;;/h5-8,13H,3-4,9-12,19H2,1-2H3,(H,20,23);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 419.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120640468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).