ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate

C15H17N3O5S2 — CID 2323174

IUPACethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C15H17N3O5S2/c1-4-23-14(20)12-9-24-15(16-12)17-13(19)10-5-7-11(8-6-10)25(21,22)18(2)3/h5-9H,4H2,1-3H3,(H,16,17,19)
InChIKeyDAVMUXUIXAYWHO-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.82
Rot. Bonds6

About ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 2323174) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID2323174
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Nameethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C15H17N3O5S2/c1-4-23-14(20)12-9-24-15(16-12)17-13(19)10-5-7-11(8-6-10)25(21,22)18(2)3/h5-9H,4H2,1-3H3,(H,16,17,19)
InChIKeyDAVMUXUIXAYWHO-UHFFFAOYSA-N
XLogP1.82
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2549893
Ethyl 2-benzamido-1,3-thiazole-4-carboxylate
CID 4067950
Ethyl 4-(benzylamino)-3,5-thiazolecarboxylate
CID 15053550
Ethyl 2-[4-(pyrrolidine-1-sulfonyl)benzamido]-1,3-thiazole-4-carboxylate
CID 1185427
2-[[[4-(Diethylsulfamoyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
CID 1548434
Ethyl 2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2332698
Ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2565451
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2679326
Ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
Ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2334564
Ethyl 2-[4-(diethylsulfamoyl)benzamido]-1,3-thiazole-4-carboxylate
CID 2335480
Ethyl 2-(2-(4-(piperidin-1-ylsulfonyl)benzamido)thiazol-4-yl)acetate
CID 3238669

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate (CID 2323174) is ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.
What is the InChIKey of ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is DAVMUXUIXAYWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-4-23-14(20)12-9-24-15(16-12)17-13(19)10-5-7-11(8-6-10)25(21,22)18(2)3/h5-9H,4H2,1-3H3,(H,16,17,19).
What are the key properties of ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2323174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).