ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate

C17H20N4O5S — CID 100991597

IUPACethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)Cc1nc(/N=N/c2cc(OC)ccc2N)sc1C(=O)OCC
InChIInChI=1S/C17H20N4O5S/c1-4-25-14(22)9-13-15(16(23)26-5-2)27-17(19-13)21-20-12-8-10(24-3)6-7-11(12)18/h6-8H,4-5,9,18H2,1-3H3/b21-20+
InChIKeyZSGCBODRWNJDPC-QZQOTICOSA-N
MW392.44 g/mol
LogP3.43
Rot. Bonds8

About ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate

ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate (PubChem CID 100991597) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
PubChem CID100991597
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Nameethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)Cc1nc(/N=N/c2cc(OC)ccc2N)sc1C(=O)OCC
InChIInChI=1S/C17H20N4O5S/c1-4-25-14(22)9-13-15(16(23)26-5-2)27-17(19-13)21-20-12-8-10(24-3)6-7-11(12)18/h6-8H,4-5,9,18H2,1-3H3/b21-20+
InChIKeyZSGCBODRWNJDPC-QZQOTICOSA-N
XLogP3.43
TPSA125.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-ethoxy-2-oxoethyl)-2-iodo-1,3-thiazole-5-carboxylate
CID 69484699
ethyl 2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 67459217
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 6-methoxy-1-benzothiophene-2-carboxylate
CID 11831419
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
CID 132539637
ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 18694344
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 1206883
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)propanoate
CID 146663754

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate (CID 100991597) is ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)Cc1nc(/N=N/c2cc(OC)ccc2N)sc1C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is ZSGCBODRWNJDPC-QZQOTICOSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-4-25-14(22)9-13-15(16(23)26-5-2)27-17(19-13)21-20-12-8-10(24-3)6-7-11(12)18/h6-8H,4-5,9,18H2,1-3H3/b21-20+.
What are the key properties of ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 392.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-5-methoxyphenyl)diazenyl]-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 100991597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).