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

C16H24Cl2N4OS — CID 119831790

IUPAC2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)c1csc(CN)n1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C16H22N4OS.2ClH/c1-3-20(13-6-4-5-12(2)9-13)8-7-18-16(21)14-11-22-15(10-17)19-14;;/h4-6,9,11H,3,7-8,10,17H2,1-2H3,(H,18,21);2*1H
InChIKeyDFABAPFJJMGRQL-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.01
Rot. Bonds7

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

2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119831790) has the molecular formula C16H24Cl2N4OS and a molecular weight of 391.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119831790
Molecular FormulaC16H24Cl2N4OS
Molecular Weight391.37 g/mol
Exact Mass390.10
IUPAC Name2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)c1csc(CN)n1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C16H22N4OS.2ClH/c1-3-20(13-6-4-5-12(2)9-13)8-7-18-16(21)14-11-22-15(10-17)19-14;;/h4-6,9,11H,3,7-8,10,17H2,1-2H3,(H,18,21);2*1H
InChIKeyDFABAPFJJMGRQL-UHFFFAOYSA-N
XLogP3.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640026
2-(aminomethyl)-N-[3-(N-ethylanilino)propyl]-1,3-thiazole-4-carboxamide
CID 119835722
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119762813
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103814336
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]-2-methylguanidine;hydroiodide
CID 111964900
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119831790) is 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(CCNC(=O)c1csc(CN)n1)c1cccc(C)c1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is DFABAPFJJMGRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS.2ClH/c1-3-20(13-6-4-5-12(2)9-13)8-7-18-16(21)14-11-22-15(10-17)19-14;;/h4-6,9,11H,3,7-8,10,17H2,1-2H3,(H,18,21);2*1H.
What are the key properties of 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 391.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119831790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).