[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate

C20H20N2O4S2 — CID 43026526

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(-c2nc(CC(=O)OCC(=O)N(C)Cc3cccs3)cs2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-22(11-17-4-3-9-27-17)18(23)12-26-19(24)10-15-13-28-20(21-15)14-5-7-16(25-2)8-6-14/h3-9,13H,10-12H2,1-2H3
InChIKeyIILSBSCJYFBEKP-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.62
Rot. Bonds8

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 43026526) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID43026526
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(-c2nc(CC(=O)OCC(=O)N(C)Cc3cccs3)cs2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-22(11-17-4-3-9-27-17)18(23)12-26-19(24)10-15-13-28-20(21-15)14-5-7-16(25-2)8-6-14/h3-9,13H,10-12H2,1-2H3
InChIKeyIILSBSCJYFBEKP-UHFFFAOYSA-N
XLogP3.62
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 35492895
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130290
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386348
2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62798161
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55507015
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
[2-(N-methylanilino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8609749
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone
CID 9267280
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 32917799
[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 43026524
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 40820049
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 43026526) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate is COc1ccc(-c2nc(CC(=O)OCC(=O)N(C)Cc3cccs3)cs2)cc1.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is IILSBSCJYFBEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-22(11-17-4-3-9-27-17)18(23)12-26-19(24)10-15-13-28-20(21-15)14-5-7-16(25-2)8-6-14/h3-9,13H,10-12H2,1-2H3.
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 416.52 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43026526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).