N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride

C17H19ClN2O2S2 — CID 163328873

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(CCNc2nc(-c3cccs3)cs2)cc1OC.Cl
InChIInChI=1S/C17H18N2O2S2.ClH/c1-20-14-6-5-12(10-15(14)21-2)7-8-18-17-19-13(11-23-17)16-4-3-9-22-16;/h3-6,9-11H,7-8H2,1-2H3,(H,18,19);1H
InChIKeyHUEIJIARPFYHEO-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.97
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 163328873) has the molecular formula C17H19ClN2O2S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
PubChem CID163328873
Molecular FormulaC17H19ClN2O2S2
Molecular Weight382.94 g/mol
Exact Mass382.06
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(CCNc2nc(-c3cccs3)cs2)cc1OC.Cl
InChIInChI=1S/C17H18N2O2S2.ClH/c1-20-14-6-5-12(10-15(14)21-2)7-8-18-17-19-13(11-23-17)16-4-3-9-22-16;/h3-6,9-11H,7-8H2,1-2H3,(H,18,19);1H
InChIKeyHUEIJIARPFYHEO-UHFFFAOYSA-N
XLogP4.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 84761943
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55363538
2-(2-methoxy-4-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29297483
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 3946128
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664714
4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 4965787
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
2-[(2,6-dimethoxyphenyl)methyl]-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)guanidine;hydrobromide
CID 67386826
2-(3,4-dimethoxyphenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30860633
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65270936

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride (CID 163328873) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride is COc1ccc(CCNc2nc(-c3cccs3)cs2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is HUEIJIARPFYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2.ClH/c1-20-14-6-5-12(10-15(14)21-2)7-8-18-17-19-13(11-23-17)16-4-3-9-22-16;/h3-6,9-11H,7-8H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 382.94 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 163328873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).