N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride

C20H31Cl2N3O3S — CID 119660170

IUPACN-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride
SMILESCOc1ccc(-c2nc(CC(=O)N(C)CCC(N)C(C)C)cs2)cc1OC.Cl.Cl
InChIInChI=1S/C20H29N3O3S.2ClH/c1-13(2)16(21)8-9-23(3)19(24)11-15-12-27-20(22-15)14-6-7-17(25-4)18(10-14)26-5;;/h6-7,10,12-13,16H,8-9,11,21H2,1-5H3;2*1H
InChIKeyGYJMCMNAMZGJSH-UHFFFAOYSA-N
MW464.46 g/mol
LogP4.05
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride

N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride (PubChem CID 119660170) has the molecular formula C20H31Cl2N3O3S and a molecular weight of 464.46 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride
PubChem CID119660170
Molecular FormulaC20H31Cl2N3O3S
Molecular Weight464.46 g/mol
Exact Mass463.15
IUPAC NameN-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride
SMILESCOc1ccc(-c2nc(CC(=O)N(C)CCC(N)C(C)C)cs2)cc1OC.Cl.Cl
InChIInChI=1S/C20H29N3O3S.2ClH/c1-13(2)16(21)8-9-23(3)19(24)11-15-12-27-20(22-15)14-6-7-17(25-4)18(10-14)26-5;;/h6-7,10,12-13,16H,8-9,11,21H2,1-5H3;2*1H
InChIKeyGYJMCMNAMZGJSH-UHFFFAOYSA-N
XLogP4.05
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119657415
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55332279
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 55382597
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 46674241
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 46662344
N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642682
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 55328635
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235380
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride (CID 119660170) is N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride is COc1ccc(-c2nc(CC(=O)N(C)CCC(N)C(C)C)cs2)cc1OC.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride?
The InChIKey is GYJMCMNAMZGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S.2ClH/c1-13(2)16(21)8-9-23(3)19(24)11-15-12-27-20(22-15)14-6-7-17(25-4)18(10-14)26-5;;/h6-7,10,12-13,16H,8-9,11,21H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride has a molecular weight of 464.46 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride is sourced from PubChem (CID 119660170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).