ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate

C17H16N2O5S3 — CID 18573740

IUPACethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1C
InChIInChI=1S/C17H16N2O5S3/c1-4-24-16(21)13-9(2)12-15(25-13)19-17(26-12)18-14(20)10-5-7-11(8-6-10)27(3,22)23/h5-8H,4H2,1-3H3,(H,18,19,20)
InChIKeyJROKXWIIVOYADA-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.50
Rot. Bonds5

About ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate

ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 18573740) has the molecular formula C17H16N2O5S3 and a molecular weight of 424.53 g/mol. Its IUPAC name is ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID18573740
Molecular FormulaC17H16N2O5S3
Molecular Weight424.53 g/mol
Exact Mass424.02
IUPAC Nameethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1C
InChIInChI=1S/C17H16N2O5S3/c1-4-24-16(21)13-9(2)12-15(25-13)19-17(26-12)18-14(20)10-5-7-11(8-6-10)27(3,22)23/h5-8H,4H2,1-3H3,(H,18,19,20)
InChIKeyJROKXWIIVOYADA-UHFFFAOYSA-N
XLogP3.50
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 4591238
ethyl 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 4598099
ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 5082140
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41145874
ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 26266832
ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41139458
ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 5159977
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3263875
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84562338
ethyl 5-methyl-1-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55621907
N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
CID 7565732

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate (CID 18573740) is ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1sc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1C.
What is the InChIKey of ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is JROKXWIIVOYADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S3/c1-4-24-16(21)13-9(2)12-15(25-13)19-17(26-12)18-14(20)10-5-7-11(8-6-10)27(3,22)23/h5-8H,4H2,1-3H3,(H,18,19,20).
What are the key properties of ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 424.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 18573740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).