ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate

C17H19N3O6S2 — CID 55333508

IUPACethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C17H19N3O6S2/c1-2-26-16(22)14-11-27-17(18-14)19-15(21)12-3-5-13(6-4-12)28(23,24)20-7-9-25-10-8-20/h3-6,11H,2,7-10H2,1H3,(H,18,19,21)
InChIKeyRFPVJPJYEDYMBD-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.59
Rot. Bonds6

About ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 55333508) has the molecular formula C17H19N3O6S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID55333508
Molecular FormulaC17H19N3O6S2
Molecular Weight425.49 g/mol
Exact Mass425.07
IUPAC Nameethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C17H19N3O6S2/c1-2-26-16(22)14-11-27-17(18-14)19-15(21)12-3-5-13(6-4-12)28(23,24)20-7-9-25-10-8-20/h3-6,11H,2,7-10H2,1H3,(H,18,19,21)
InChIKeyRFPVJPJYEDYMBD-UHFFFAOYSA-N
XLogP1.59
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 55333561
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CID 5190047
ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333562
ethyl 2-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333395
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 51146352
ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 3646213
4-heptoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4500684
ethyl 4-cyano-3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
CID 41006259
ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 26266832
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605012

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 55333508) is ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is RFPVJPJYEDYMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S2/c1-2-26-16(22)14-11-27-17(18-14)19-15(21)12-3-5-13(6-4-12)28(23,24)20-7-9-25-10-8-20/h3-6,11H,2,7-10H2,1H3,(H,18,19,21).
What are the key properties of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55333508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).