(4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate

C11H10N2O5S — CID 117213447

IUPAC(4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
SMILESCOc1ccc(OC(=O)C2=C(N)S(=O)(=O)N=C2)cc1
InChIInChI=1S/C11H10N2O5S/c1-17-7-2-4-8(5-3-7)18-11(14)9-6-13-19(15,16)10(9)12/h2-6H,12H2,1H3
InChIKeyCNXSGMZQAGJQSS-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.19
Rot. Bonds3

About (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate

(4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate (PubChem CID 117213447) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
PubChem CID117213447
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name(4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
SMILESCOc1ccc(OC(=O)C2=C(N)S(=O)(=O)N=C2)cc1
InChIInChI=1S/C11H10N2O5S/c1-17-7-2-4-8(5-3-7)18-11(14)9-6-13-19(15,16)10(9)12/h2-6H,12H2,1H3
InChIKeyCNXSGMZQAGJQSS-UHFFFAOYSA-N
XLogP0.19
TPSA108.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
CID 117213443
(4-methoxyphenyl) 3,5-diaminobenzoate
CID 12995562
(4-methoxyphenyl) 4-amino-1,2-thiazole-5-carboxylate
CID 117218869
(4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
CID 117214683
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 89106310
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate
CID 100957753
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate?
The IUPAC name of (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate (CID 117213447) is (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate is COc1ccc(OC(=O)C2=C(N)S(=O)(=O)N=C2)cc1.
What is the InChIKey of (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate?
The InChIKey is CNXSGMZQAGJQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-17-7-2-4-8(5-3-7)18-11(14)9-6-13-19(15,16)10(9)12/h2-6H,12H2,1H3.
What are the key properties of (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate?
(4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate has a molecular weight of 282.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 117213447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).