2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C22H26ClN3O2S — CID 119813202

IUPAC2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCN(C(=O)c1csc(CN)n1)C(C)c1ccc(-c2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C22H25N3O2S.ClH/c1-4-25(22(26)20-14-28-21(13-23)24-20)15(2)16-8-10-17(11-9-16)18-6-5-7-19(12-18)27-3;/h5-12,14-15H,4,13,23H2,1-3H3;1H
InChIKeyBQOFKCYDEIYLNN-UHFFFAOYSA-N
MW431.99 g/mol
LogP4.92
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119813202) has the molecular formula C22H26ClN3O2S and a molecular weight of 431.99 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119813202
Molecular FormulaC22H26ClN3O2S
Molecular Weight431.99 g/mol
Exact Mass431.14
IUPAC Name2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCN(C(=O)c1csc(CN)n1)C(C)c1ccc(-c2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C22H25N3O2S.ClH/c1-4-25(22(26)20-14-28-21(13-23)24-20)15(2)16-8-10-17(11-9-16)18-6-5-7-19(12-18)27-3;/h5-12,14-15H,4,13,23H2,1-3H3;1H
InChIKeyBQOFKCYDEIYLNN-UHFFFAOYSA-N
XLogP4.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]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-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
(2S,5R)-5-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795793
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119807887
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119765495
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496
N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813208
2-(aminomethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688844
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119723226

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119813202) is 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is CCN(C(=O)c1csc(CN)n1)C(C)c1ccc(-c2cccc(OC)c2)cc1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is BQOFKCYDEIYLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S.ClH/c1-4-25(22(26)20-14-28-21(13-23)24-20)15(2)16-8-10-17(11-9-16)18-6-5-7-19(12-18)27-3;/h5-12,14-15H,4,13,23H2,1-3H3;1H.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119813202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).