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

C19H20N2O5S3 — CID 41145874

IUPACethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)sc2c1C
InChIInChI=1S/C19H20N2O5S3/c1-4-26-18(23)16-11(3)15-17(27-16)21-19(28-15)20-14(22)10-12-6-8-13(9-7-12)29(24,25)5-2/h6-9H,4-5,10H2,1-3H3,(H,20,21,22)
InChIKeyUKQCZQVJLQDNHX-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.82
Rot. Bonds7

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

ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 41145874) has the molecular formula C19H20N2O5S3 and a molecular weight of 452.58 g/mol. Its IUPAC name is ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID41145874
Molecular FormulaC19H20N2O5S3
Molecular Weight452.58 g/mol
Exact Mass452.05
IUPAC Nameethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)sc2c1C
InChIInChI=1S/C19H20N2O5S3/c1-4-26-18(23)16-11(3)15-17(27-16)21-19(28-15)20-14(22)10-12-6-8-13(9-7-12)29(24,25)5-2/h6-9H,4-5,10H2,1-3H3,(H,20,21,22)
InChIKeyUKQCZQVJLQDNHX-UHFFFAOYSA-N
XLogP3.82
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate (CID 41145874) is ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1sc2nc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)sc2c1C.
What is the InChIKey of ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is UKQCZQVJLQDNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S3/c1-4-26-18(23)16-11(3)15-17(27-16)21-19(28-15)20-14(22)10-12-6-8-13(9-7-12)29(24,25)5-2/h6-9H,4-5,10H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 452.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 41145874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).