ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate

C19H20N2O3S3 — CID 41139458

IUPACethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)Cc3ccc(SCC)cc3)sc2c1C
InChIInChI=1S/C19H20N2O3S3/c1-4-24-18(23)16-11(3)15-17(26-16)21-19(27-15)20-14(22)10-12-6-8-13(9-7-12)25-5-2/h6-9H,4-5,10H2,1-3H3,(H,20,21,22)
InChIKeyNQFIXENWEIRJLE-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.14
Rot. Bonds7

About ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate

ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 41139458) has the molecular formula C19H20N2O3S3 and a molecular weight of 420.58 g/mol. Its IUPAC name is ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID41139458
Molecular FormulaC19H20N2O3S3
Molecular Weight420.58 g/mol
Exact Mass420.06
IUPAC Nameethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)Cc3ccc(SCC)cc3)sc2c1C
InChIInChI=1S/C19H20N2O3S3/c1-4-24-18(23)16-11(3)15-17(26-16)21-19(27-15)20-14(22)10-12-6-8-13(9-7-12)25-5-2/h6-9H,4-5,10H2,1-3H3,(H,20,21,22)
InChIKeyNQFIXENWEIRJLE-UHFFFAOYSA-N
XLogP5.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41145874
ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 4591238
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfanylphenyl)acetamide
CID 8700897
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199
ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 18573740
ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 5082140
ethyl 3-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 41139431
ethyl 4-phenyl-2-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 16838736
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41145800
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566775
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84558528
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 41126599

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate (CID 41139458) is ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1sc2nc(NC(=O)Cc3ccc(SCC)cc3)sc2c1C.
What is the InChIKey of ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is NQFIXENWEIRJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S3/c1-4-24-18(23)16-11(3)15-17(26-16)21-19(27-15)20-14(22)10-12-6-8-13(9-7-12)25-5-2/h6-9H,4-5,10H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 420.58 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 41139458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).