2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C17H24ClN3O3S — CID 119810601

IUPAC2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)c2csc(CN)n2)c1C.Cl
InChIInChI=1S/C17H23N3O3S.ClH/c1-3-22-7-8-23-10-13-5-4-6-14(12(13)2)20-17(21)15-11-24-16(9-18)19-15;/h4-6,11H,3,7-10,18H2,1-2H3,(H,20,21);1H
InChIKeyJTVRBWFXTSVJKY-UHFFFAOYSA-N
MW385.92 g/mol
LogP3.14
Rot. Bonds9

About 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119810601) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119810601
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)c2csc(CN)n2)c1C.Cl
InChIInChI=1S/C17H23N3O3S.ClH/c1-3-22-7-8-23-10-13-5-4-6-14(12(13)2)20-17(21)15-11-24-16(9-18)19-15;/h4-6,11H,3,7-10,18H2,1-2H3,(H,20,21);1H
InChIKeyJTVRBWFXTSVJKY-UHFFFAOYSA-N
XLogP3.14
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
CID 119338952
2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671103
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
CID 119338953
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119810587
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide
CID 66379840
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672
2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119739998
2-(aminomethyl)-N-(2-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 66376858
2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66378778

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119810601) is 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride is CCOCCOCc1cccc(NC(=O)c2csc(CN)n2)c1C.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is JTVRBWFXTSVJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S.ClH/c1-3-22-7-8-23-10-13-5-4-6-14(12(13)2)20-17(21)15-11-24-16(9-18)19-15;/h4-6,11H,3,7-10,18H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 385.92 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119810601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).