ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate

C19H23N3O6S2 — CID 2361864

IUPACethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C
InChIInChI=1S/C19H23N3O6S2/c1-4-28-18(24)16-13(3)20-19(29-16)21-17(23)15-11-14(6-5-12(15)2)30(25,26)22-7-9-27-10-8-22/h5-6,11H,4,7-10H2,1-3H3,(H,20,21,23)
InChIKeyURQFFGIXWMSOLP-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.21
Rot. Bonds6

About ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 2361864) has the molecular formula C19H23N3O6S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID2361864
Molecular FormulaC19H23N3O6S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC Nameethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C
InChIInChI=1S/C19H23N3O6S2/c1-4-28-18(24)16-13(3)20-19(29-16)21-17(23)15-11-14(6-5-12(15)2)30(25,26)22-7-9-27-10-8-22/h5-6,11H,4,7-10H2,1-3H3,(H,20,21,23)
InChIKeyURQFFGIXWMSOLP-UHFFFAOYSA-N
XLogP2.21
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

Methyl 4-methyl-2-({[(2-methylbenzoyl)amino]carbonothioyl}amino)-1,3-thiazole-5-carboxylate
CID 801958
2-[[[4-(Diethylsulfamoyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
CID 1548434
Ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2565451
Ethyl 4-phenyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)thiazole-5-carboxylate
CID 3321091
Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4-phenylthiazole-5-carboxylate
CID 4100897
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
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide
CID 3242349
ethyl 2-(4-(N,N-dipropylsulfamoyl)benzamido)-4-phenylthiazole-5-carboxylate
CID 3872651
Ethyl 2-(4-(morpholinosulfonyl)benzamido)-4-phenylthiazole-5-carboxylate
CID 4277078
Ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 4609147

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 2361864) is ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is URQFFGIXWMSOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S2/c1-4-28-18(24)16-13(3)20-19(29-16)21-17(23)15-11-14(6-5-12(15)2)30(25,26)22-7-9-27-10-8-22/h5-6,11H,4,7-10H2,1-3H3,(H,20,21,23).
What are the key properties of ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2361864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).