2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C16H18ClN5O3S — CID 120623016

IUPAC2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1(c2cccc(NC(=O)c3csc(CCN)n3)c2)NC(=O)NC1=O.Cl
InChIInChI=1S/C16H17N5O3S.ClH/c1-16(14(23)20-15(24)21-16)9-3-2-4-10(7-9)18-13(22)11-8-25-12(19-11)5-6-17;/h2-4,7-8H,5-6,17H2,1H3,(H,18,22)(H2,20,21,23,24);1H
InChIKeyLAJHTEWEWRUPQZ-UHFFFAOYSA-N
MW395.87 g/mol
LogP1.37
Rot. Bonds5

About 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120623016) has the molecular formula C16H18ClN5O3S and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120623016
Molecular FormulaC16H18ClN5O3S
Molecular Weight395.87 g/mol
Exact Mass395.08
IUPAC Name2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1(c2cccc(NC(=O)c3csc(CCN)n3)c2)NC(=O)NC1=O.Cl
InChIInChI=1S/C16H17N5O3S.ClH/c1-16(14(23)20-15(24)21-16)9-3-2-4-10(7-9)18-13(22)11-8-25-12(19-11)5-6-17;/h2-4,7-8H,5-6,17H2,1H3,(H,18,22)(H2,20,21,23,24);1H
InChIKeyLAJHTEWEWRUPQZ-UHFFFAOYSA-N
XLogP1.37
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
CID 120618634
2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621017
2-(2-aminoethyl)-N-[3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622391
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638651
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
CID 120646629
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317
2-(2-aminoethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 120647909
N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120623016) is 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC1(c2cccc(NC(=O)c3csc(CCN)n3)c2)NC(=O)NC1=O.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is LAJHTEWEWRUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S.ClH/c1-16(14(23)20-15(24)21-16)9-3-2-4-10(7-9)18-13(22)11-8-25-12(19-11)5-6-17;/h2-4,7-8H,5-6,17H2,1H3,(H,18,22)(H2,20,21,23,24);1H.
What are the key properties of 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 395.87 g/mol, XLogP of 1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).