ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate

C19H18N2O2S — CID 11667240

IUPACethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-3-23-19(22)15-9-11-16(12-10-15)21(2)17-13-24-18(20-17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChIKeyMGKYEWWFHSESJN-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.75
Rot. Bonds5

About ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate

ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate (PubChem CID 11667240) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate
PubChem CID11667240
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Nameethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-3-23-19(22)15-9-11-16(12-10-15)21(2)17-13-24-18(20-17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChIKeyMGKYEWWFHSESJN-UHFFFAOYSA-N
XLogP4.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate?
The IUPAC name of ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate (CID 11667240) is ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate is CCOC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate?
The InChIKey is MGKYEWWFHSESJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-23-19(22)15-9-11-16(12-10-15)21(2)17-13-24-18(20-17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate?
ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate has a molecular weight of 338.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl-(2-phenyl-1,3-thiazol-4-yl)amino]benzoate is sourced from PubChem (CID 11667240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).