2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride

C15H19Cl2N3O2S — CID 119794062

IUPAC2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C15H18ClN3O2S.ClH/c1-9(14(21-2)10-3-5-11(16)6-4-10)18-15(20)12-8-22-13(7-17)19-12;/h3-6,8-9,14H,7,17H2,1-2H3,(H,18,20);1H
InChIKeyCMYZLWDTEIPHPB-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.18
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119794062) has the molecular formula C15H19Cl2N3O2S and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119794062
Molecular FormulaC15H19Cl2N3O2S
Molecular Weight376.31 g/mol
Exact Mass375.06
IUPAC Name2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C15H18ClN3O2S.ClH/c1-9(14(21-2)10-3-5-11(16)6-4-10)18-15(20)12-8-22-13(7-17)19-12;/h3-6,8-9,14H,7,17H2,1-2H3,(H,18,20);1H
InChIKeyCMYZLWDTEIPHPB-UHFFFAOYSA-N
XLogP3.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-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-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
2-(aminomethyl)-N-[2-(4-chlorophenyl)-2-methoxyethyl]-1,3-thiazole-4-carboxamide
CID 119803141
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
CID 119689395
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
methyl (2S,3S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate;hydrochloride
CID 119748437
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]butanoate;hydrochloride
CID 119695198
methyl (2S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954914
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119794062) is 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride is COC(c1ccc(Cl)cc1)C(C)NC(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is CMYZLWDTEIPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S.ClH/c1-9(14(21-2)10-3-5-11(16)6-4-10)18-15(20)12-8-22-13(7-17)19-12;/h3-6,8-9,14H,7,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 376.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119794062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).