ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate

C18H15NO2S — CID 66524921

IUPACethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H15NO2S/c1-2-21-18(20)17-19-15(13-9-5-3-6-10-13)16(22-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyHYWDWIAJMFALKT-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.65
Rot. Bonds4

About ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate

ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate (PubChem CID 66524921) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
PubChem CID66524921
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Nameethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H15NO2S/c1-2-21-18(20)17-19-15(13-9-5-3-6-10-13)16(22-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyHYWDWIAJMFALKT-UHFFFAOYSA-N
XLogP4.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 2-methylsulfanyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 13441328
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
2-(N-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-4-methylanilino)acetic acid
CID 170715918
ethyl 6-(4,5-diphenyl-1,3-thiazol-2-yl)hexanoate
CID 69005381
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 2-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxylate;hydrobromide
CID 18322831
ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291290
ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate
CID 63399043
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate (CID 66524921) is ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate?
The InChIKey is HYWDWIAJMFALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-2-21-18(20)17-19-15(13-9-5-3-6-10-13)16(22-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate?
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 66524921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).