2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride

C17H24ClN3O4S2 — CID 120626193

IUPAC2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C17H23N3O4S2.ClH/c1-20(17(21)15-12-25-16(19-15)8-9-18)10-3-11-24-13-4-6-14(7-5-13)26(2,22)23;/h4-7,12H,3,8-11,18H2,1-2H3;1H
InChIKeyMFVQCPVWXFWHQU-UHFFFAOYSA-N
MW433.98 g/mol
LogP2.01
Rot. Bonds9

About 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120626193) has the molecular formula C17H24ClN3O4S2 and a molecular weight of 433.98 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120626193
Molecular FormulaC17H24ClN3O4S2
Molecular Weight433.98 g/mol
Exact Mass433.09
IUPAC Name2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C17H23N3O4S2.ClH/c1-20(17(21)15-12-25-16(19-15)8-9-18)10-3-11-24-13-4-6-14(7-5-13)26(2,22)23;/h4-7,12H,3,8-11,18H2,1-2H3;1H
InChIKeyMFVQCPVWXFWHQU-UHFFFAOYSA-N
XLogP2.01
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-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-[3-(4-fluorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623568
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618211
(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 81059550
2-[(4-chlorophenoxy)methyl]-N-methyl-N-(3-phenoxypropyl)-1,3-thiazole-4-carboxamide
CID 55654397
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
CID 120626191
2-(2-aminoethyl)-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618974
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641621
2-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119739739
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618811

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120626193) is 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride is CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is MFVQCPVWXFWHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2.ClH/c1-20(17(21)15-12-25-16(19-15)8-9-18)10-3-11-24-13-4-6-14(7-5-13)26(2,22)23;/h4-7,12H,3,8-11,18H2,1-2H3;1H.
What are the key properties of 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120626193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).