2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C16H21ClN4O3S — CID 120621811

IUPAC2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCNC(=O)c2csc(CCN)n2)cc1.Cl
InChIInChI=1S/C16H20N4O3S.ClH/c1-23-12-4-2-11(3-5-12)15(21)18-8-9-19-16(22)13-10-24-14(20-13)6-7-17;/h2-5,10H,6-9,17H2,1H3,(H,18,21)(H,19,22);1H
InChIKeyHQPOXUXBOZZLJY-UHFFFAOYSA-N
MW384.89 g/mol
LogP1.23
Rot. Bonds8

About 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120621811) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120621811
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC Name2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCNC(=O)c2csc(CCN)n2)cc1.Cl
InChIInChI=1S/C16H20N4O3S.ClH/c1-23-12-4-2-11(3-5-12)15(21)18-8-9-19-16(22)13-10-24-14(20-13)6-7-17;/h2-5,10H,6-9,17H2,1H3,(H,18,21)(H,19,22);1H
InChIKeyHQPOXUXBOZZLJY-UHFFFAOYSA-N
XLogP1.23
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-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

2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618811
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
2-(2-aminoethyl)-N-[[4-(butylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623733
2-(2-aminoethyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626099
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
2-(2-aminoethyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631147
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873
2-(2-aminoethyl)-N-[3-(3-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120635005
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120646535
2-(2-aminoethyl)-N-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623855

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120621811) is 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is COc1ccc(C(=O)NCCNC(=O)c2csc(CCN)n2)cc1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HQPOXUXBOZZLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S.ClH/c1-23-12-4-2-11(3-5-12)15(21)18-8-9-19-16(22)13-10-24-14(20-13)6-7-17;/h2-5,10H,6-9,17H2,1H3,(H,18,21)(H,19,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 384.89 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).