2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C15H20ClN3O3S — CID 120617060

IUPAC2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOc1cc(C)c(NC(=O)c2csc(CCN)n2)cc1OC.Cl
InChIInChI=1S/C15H19N3O3S.ClH/c1-9-6-12(20-2)13(21-3)7-10(9)18-15(19)11-8-22-14(17-11)4-5-16;/h6-8H,4-5,16H2,1-3H3,(H,18,19);1H
InChIKeyFYFYZHMITYCHHI-UHFFFAOYSA-N
MW357.86 g/mol
LogP2.64
Rot. Bonds6

About 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120617060) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120617060
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOc1cc(C)c(NC(=O)c2csc(CCN)n2)cc1OC.Cl
InChIInChI=1S/C15H19N3O3S.ClH/c1-9-6-12(20-2)13(21-3)7-10(9)18-15(19)11-8-22-14(17-11)4-5-16;/h6-8H,4-5,16H2,1-3H3,(H,18,19);1H
InChIKeyFYFYZHMITYCHHI-UHFFFAOYSA-N
XLogP2.64
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637933
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-(2-methyl-4-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120624354
2-(2-aminoethyl)-N-(3-hydroxy-2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 66390225
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
2-(2-aminoethyl)-N-(5-fluoro-2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630413

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120617060) is 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is COc1cc(C)c(NC(=O)c2csc(CCN)n2)cc1OC.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is FYFYZHMITYCHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S.ClH/c1-9-6-12(20-2)13(21-3)7-10(9)18-15(19)11-8-22-14(17-11)4-5-16;/h6-8H,4-5,16H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).