ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate

C19H18N2O2S — CID 5048602

IUPACethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(C)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-3-23-18(22)17-16(14-7-5-4-6-8-14)21-19(24-17)20-15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyZPEZSUYGVNHGJL-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.04
Rot. Bonds5

About ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 5048602) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID5048602
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Nameethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(C)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-3-23-18(22)17-16(14-7-5-4-6-8-14)21-19(24-17)20-15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyZPEZSUYGVNHGJL-UHFFFAOYSA-N
XLogP5.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Ethyl 2-[(3-Chloro-4-Methylphenyl)amino]-4-Phenyl-1,3-Thiazole-5-Carboxylate
CID 91995955
Ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 972118
Ethyl 2-(2-naphthylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3100461
Ethyl 2-(acetylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3941062
Ethyl 2-((4-chlorophenyl)amino)-4-phenylthiazole-5-carboxylate
CID 10808375
Ethyl 4-phenyl-2-(phenylamino)thiazole-5-carboxylate
CID 10853437
Methyl 4-[[2-acetamido-4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-5-yl]methyl]benzoate;hydrochloride
CID 21915303
Ethyl 4-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,3-thiazole-5-carboxylate
CID 71543403
Ethyl 2-(3,4-dimethylanilino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 118096600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate (CID 5048602) is ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccc(C)cc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZPEZSUYGVNHGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-23-18(22)17-16(14-7-5-4-6-8-14)21-19(24-17)20-15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 338.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 5048602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).