2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride

C16H22ClN3O4S — CID 119803293

IUPAC2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOCCN(C(=O)c1csc(CN)n1)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C16H21N3O4S.ClH/c1-21-7-6-19(16(20)12-10-24-15(9-17)18-12)11-4-5-13(22-2)14(8-11)23-3;/h4-5,8,10H,6-7,9,17H2,1-3H3;1H
InChIKeyFNUCPWFOCBDYQI-UHFFFAOYSA-N
MW387.89 g/mol
LogP2.33
Rot. Bonds8

About 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119803293) has the molecular formula C16H22ClN3O4S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119803293
Molecular FormulaC16H22ClN3O4S
Molecular Weight387.89 g/mol
Exact Mass387.10
IUPAC Name2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOCCN(C(=O)c1csc(CN)n1)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C16H21N3O4S.ClH/c1-21-7-6-19(16(20)12-10-24-15(9-17)18-12)11-4-5-13(22-2)14(8-11)23-3;/h4-5,8,10H,6-7,9,17H2,1-3H3;1H
InChIKeyFNUCPWFOCBDYQI-UHFFFAOYSA-N
XLogP2.33
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119762813
4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid
CID 119186551
2-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 66377502
2-(aminomethyl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119777161
2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119778595
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
2-(aminomethyl)-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119786408
2-(aminomethyl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119774846
2-(aminomethyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749277
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride
CID 119803271

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119803293) is 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride is COCCN(C(=O)c1csc(CN)n1)c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is FNUCPWFOCBDYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S.ClH/c1-21-7-6-19(16(20)12-10-24-15(9-17)18-12)11-4-5-13(22-2)14(8-11)23-3;/h4-5,8,10H,6-7,9,17H2,1-3H3;1H.
What are the key properties of 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 387.89 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119803293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).