2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C17H26Cl2N4OS — CID 120640026

IUPAC2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)c1csc(CCN)n1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C17H24N4OS.2ClH/c1-3-21(14-6-4-5-13(2)11-14)10-9-19-17(22)15-12-23-16(20-15)7-8-18;;/h4-6,11-12H,3,7-10,18H2,1-2H3,(H,19,22);2*1H
InChIKeyTUOXHGTTZVEWMB-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.05
Rot. Bonds8

About 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120640026) has the molecular formula C17H26Cl2N4OS and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120640026
Molecular FormulaC17H26Cl2N4OS
Molecular Weight405.40 g/mol
Exact Mass404.12
IUPAC Name2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)c1csc(CCN)n1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C17H24N4OS.2ClH/c1-3-21(14-6-4-5-13(2)11-14)10-9-19-17(22)15-12-23-16(20-15)7-8-18;;/h4-6,11-12H,3,7-10,18H2,1-2H3,(H,19,22);2*1H
InChIKeyTUOXHGTTZVEWMB-UHFFFAOYSA-N
XLogP3.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831790
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(aminomethyl)-N-[3-(N-ethylanilino)propyl]-1,3-thiazole-4-carboxamide
CID 119835722
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639449

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120640026) is 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(CCNC(=O)c1csc(CCN)n1)c1cccc(C)c1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is TUOXHGTTZVEWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.2ClH/c1-3-21(14-6-4-5-13(2)11-14)10-9-19-17(22)15-12-23-16(20-15)7-8-18;;/h4-6,11-12H,3,7-10,18H2,1-2H3,(H,19,22);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 405.40 g/mol, XLogP of 3.05, 8 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-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120640026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).