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

C21H20N2O4S2 — CID 16566700

IUPACethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(SC)cc2OC)nc1-c1ccccc1
InChIInChI=1S/C21H20N2O4S2/c1-4-27-20(25)18-17(13-8-6-5-7-9-13)22-21(29-18)23-19(24)15-11-10-14(28-3)12-16(15)26-2/h5-12H,4H2,1-3H3,(H,22,23,24)
InChIKeyOWYXAEVSWGZRLR-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.97
Rot. Bonds7

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

ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 16566700) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID16566700
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC Nameethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(SC)cc2OC)nc1-c1ccccc1
InChIInChI=1S/C21H20N2O4S2/c1-4-27-20(25)18-17(13-8-6-5-7-9-13)22-21(29-18)23-19(24)15-11-10-14(28-3)12-16(15)26-2/h5-12H,4H2,1-3H3,(H,22,23,24)
InChIKeyOWYXAEVSWGZRLR-UHFFFAOYSA-N
XLogP4.97
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7565328
ethyl 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55509740
ethyl 2-[(5-chloro-2-fluorobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 18288204
ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 2359088
ethyl 2-[(2-methyl-5-nitrobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 60596676
ethyl 2-[(2-ethylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 41028409
ethyl 2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16848085
ethyl 2-[(2,4-dinitrobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 4261500
N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 3512534
ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7546098
ethyl 2-[(4-tert-butylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 1311883
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 16566700) is ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(SC)cc2OC)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is OWYXAEVSWGZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c1-4-27-20(25)18-17(13-8-6-5-7-9-13)22-21(29-18)23-19(24)15-11-10-14(28-3)12-16(15)26-2/h5-12H,4H2,1-3H3,(H,22,23,24).
What are the key properties of ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 428.54 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16566700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).