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

C17H24ClN3O3S — CID 120622317

IUPAC2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)c2csc(CCN)n2)c1.Cl
InChIInChI=1S/C17H23N3O3S.ClH/c1-2-22-8-9-23-11-13-4-3-5-14(10-13)19-17(21)15-12-24-16(20-15)6-7-18;/h3-5,10,12H,2,6-9,11,18H2,1H3,(H,19,21);1H
InChIKeyDBCXXTILULGWNW-UHFFFAOYSA-N
MW385.92 g/mol
LogP2.87
Rot. Bonds10

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

2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120622317) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120622317
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)c2csc(CCN)n2)c1.Cl
InChIInChI=1S/C17H23N3O3S.ClH/c1-2-22-8-9-23-11-13-4-3-5-14(10-13)19-17(21)15-12-24-16(20-15)6-7-18;/h3-5,10,12H,2,6-9,11,18H2,1H3,(H,19,21);1H
InChIKeyDBCXXTILULGWNW-UHFFFAOYSA-N
XLogP2.87
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 52.87
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

ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
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2-(2-aminoethyl)-N-[3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
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N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
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2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
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2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
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2-(2-aminoethyl)-N-(4-ethoxybutyl)-1,3-thiazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120622317) is 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is CCOCCOCc1cccc(NC(=O)c2csc(CCN)n2)c1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is DBCXXTILULGWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S.ClH/c1-2-22-8-9-23-11-13-4-3-5-14(10-13)19-17(21)15-12-24-16(20-15)6-7-18;/h3-5,10,12H,2,6-9,11,18H2,1H3,(H,19,21);1H.
What are the key properties of 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 385.92 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120622317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).