N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

C22H27N3O2S — CID 120872049

IUPACN'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCOc1cccc(-c2nc(CN(CCN)CCc3ccccc3)cs2)c1OC
InChIInChI=1S/C22H27N3O2S/c1-26-20-10-6-9-19(21(20)27-2)22-24-18(16-28-22)15-25(14-12-23)13-11-17-7-4-3-5-8-17/h3-10,16H,11-15,23H2,1-2H3
InChIKeySALHGYBFOFSMJH-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.83
Rot. Bonds10

About N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120872049) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120872049
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCOc1cccc(-c2nc(CN(CCN)CCc3ccccc3)cs2)c1OC
InChIInChI=1S/C22H27N3O2S/c1-26-20-10-6-9-19(21(20)27-2)22-24-18(16-28-22)15-25(14-12-23)13-11-17-7-4-3-5-8-17/h3-10,16H,11-15,23H2,1-2H3
InChIKeySALHGYBFOFSMJH-UHFFFAOYSA-N
XLogP3.83
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine with MolForge

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Related Compounds

2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912913
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912912
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 47030264
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417
N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 120912564
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 31273909
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912540
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120872049) is N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is COc1cccc(-c2nc(CN(CCN)CCc3ccccc3)cs2)c1OC.
What is the InChIKey of N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is SALHGYBFOFSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-26-20-10-6-9-19(21(20)27-2)22-24-18(16-28-22)15-25(14-12-23)13-11-17-7-4-3-5-8-17/h3-10,16H,11-15,23H2,1-2H3.
What are the key properties of N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 397.54 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120872049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).