ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate

C20H19N3O4S — CID 162395295

IUPACethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1O
InChIInChI=1S/C20H19N3O4S/c1-3-27-19(26)16-9-8-15(10-18(16)25)22-20-23-17(11-28-20)13-4-6-14(7-5-13)21-12(2)24/h4-11,25H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLXLJUVQIMYECNA-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.39
Rot. Bonds6

About ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate

ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate (PubChem CID 162395295) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate
PubChem CID162395295
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Nameethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1O
InChIInChI=1S/C20H19N3O4S/c1-3-27-19(26)16-9-8-15(10-18(16)25)22-20-23-17(11-28-20)13-4-6-14(7-5-13)21-12(2)24/h4-11,25H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLXLJUVQIMYECNA-UHFFFAOYSA-N
XLogP4.39
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate?
The IUPAC name of ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate (CID 162395295) is ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate.
What is the SMILES notation for ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate?
The canonical SMILES for ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate is CCOC(=O)c1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1O.
What is the InChIKey of ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate?
The InChIKey is LXLJUVQIMYECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-3-27-19(26)16-9-8-15(10-18(16)25)22-20-23-17(11-28-20)13-4-6-14(7-5-13)21-12(2)24/h4-11,25H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate?
ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate has a molecular weight of 397.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 162395295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).