2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride

C15H18Cl2FN3O2S — CID 119778595

IUPAC2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C15H17ClFN3O2S.ClH/c1-22-5-4-20(8-10-2-3-11(17)6-12(10)16)15(21)13-9-23-14(7-18)19-13;/h2-3,6,9H,4-5,7-8,18H2,1H3;1H
InChIKeyZVCIPVLLCOPNFC-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.10
Rot. Bonds7

About 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119778595) has the molecular formula C15H18Cl2FN3O2S and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119778595
Molecular FormulaC15H18Cl2FN3O2S
Molecular Weight394.30 g/mol
Exact Mass393.05
IUPAC Name2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C15H17ClFN3O2S.ClH/c1-22-5-4-20(8-10-2-3-11(17)6-12(10)16)15(21)13-9-23-14(7-18)19-13;/h2-3,6,9H,4-5,7-8,18H2,1H3;1H
InChIKeyZVCIPVLLCOPNFC-UHFFFAOYSA-N
XLogP3.10
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-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

4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
CID 120562459
2-(aminomethyl)-N-butyl-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119769463
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
CID 119320684
(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide
CID 95615840
2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119803293
N-[(2-chloro-4-fluorophenyl)methyl]-4-cyano-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 71860276
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119715290
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 119853363
2-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 66377502
N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
CID 119778590
2-(aminomethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66376521
2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119348120

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119778595) is 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride is COCCN(Cc1ccc(F)cc1Cl)C(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ZVCIPVLLCOPNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O2S.ClH/c1-22-5-4-20(8-10-2-3-11(17)6-12(10)16)15(21)13-9-23-14(7-18)19-13;/h2-3,6,9H,4-5,7-8,18H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 394.30 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119778595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).