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

C24H25N3O5S2 — CID 3321091

IUPACethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H25N3O5S2/c1-2-32-23(29)21-20(17-9-5-3-6-10-17)25-24(33-21)26-22(28)18-11-13-19(14-12-18)34(30,31)27-15-7-4-8-16-27/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3,(H,25,26,28)
InChIKeyFZCHOVNPTGVERJ-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.41
Rot. Bonds7

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

ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 3321091) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID3321091
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Nameethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H25N3O5S2/c1-2-32-23(29)21-20(17-9-5-3-6-10-17)25-24(33-21)26-22(28)18-11-13-19(14-12-18)34(30,31)27-15-7-4-8-16-27/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3,(H,25,26,28)
InChIKeyFZCHOVNPTGVERJ-UHFFFAOYSA-N
XLogP4.41
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-acetamido-4-phenylthiazole-5-carboxylate
CID 3941062
Ethyl 4-methyl-2-(4-(methylamino)-6-(4-sulfamoylbenzylamino)pyrimidin-2-ylamino)thiazole-5-carboxylate
CID 10205894
Ethyl 4-phenyl-2-(phenylamino)thiazole-5-carboxylate
CID 10853437
N-(4,5-diphenylthiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 1547976
2-[[[4-(Diethylsulfamoyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
CID 1548434
Ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 2361864
Ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2565451
N-(5-benzoyl-4-phenylthiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 3991022
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 4045703
Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4-phenylthiazole-5-carboxylate
CID 4100897
Methyl 4-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 5130063
Ethyl 4-phenyl-2-(prop-2-enoylamino)-1,3-thiazole-5-carboxylate
CID 155526467

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 3321091) is ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is FZCHOVNPTGVERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-2-32-23(29)21-20(17-9-5-3-6-10-17)25-24(33-21)26-22(28)18-11-13-19(14-12-18)34(30,31)27-15-7-4-8-16-27/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3,(H,25,26,28).
What are the key properties of ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 499.61 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3321091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).