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

C10H7ClN2O4S — CID 117213443

IUPAC(4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
SMILESNC1=C(C(=O)Oc2ccc(Cl)cc2)C=NS1(=O)=O
InChIInChI=1S/C10H7ClN2O4S/c11-6-1-3-7(4-2-6)17-10(14)8-5-13-18(15,16)9(8)12/h1-5H,12H2
InChIKeyORMVLEKTZCNVBB-UHFFFAOYSA-N
MW286.70 g/mol
LogP0.83
Rot. Bonds2

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

(4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate (PubChem CID 117213443) has the molecular formula C10H7ClN2O4S and a molecular weight of 286.70 g/mol. Its IUPAC name is (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
PubChem CID117213443
Molecular FormulaC10H7ClN2O4S
Molecular Weight286.70 g/mol
Exact Mass285.98
IUPAC Name(4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
SMILESNC1=C(C(=O)Oc2ccc(Cl)cc2)C=NS1(=O)=O
InChIInChI=1S/C10H7ClN2O4S/c11-6-1-3-7(4-2-6)17-10(14)8-5-13-18(15,16)9(8)12/h1-5H,12H2
InChIKeyORMVLEKTZCNVBB-UHFFFAOYSA-N
XLogP0.83
TPSA98.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.70
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
CID 117213447
3-(4-chlorophenoxy)carbonyl-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117215139
(4-chlorophenyl) acridine-9-carboxylate
CID 609870
(4-chlorophenyl) 5-aminopyrazine-2-carboxylate
CID 117213165
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
(4-chlorophenyl) 3-amino-1-methylpyrazole-5-carboxylate
CID 117218391
(4-chlorophenyl) 5-amino-1-methylpyrazole-4-carboxylate
CID 117213683
(4-chlorophenyl) acetate
CID 13410
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(4-aminophenyl) 4-[4-(2,4-dichlorophenoxy)carbonylphenyl]benzoate
CID 68526564
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate?
The IUPAC name of (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate (CID 117213443) is (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate.
What is the SMILES notation for (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate?
The canonical SMILES for (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate is NC1=C(C(=O)Oc2ccc(Cl)cc2)C=NS1(=O)=O.
What is the InChIKey of (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate?
The InChIKey is ORMVLEKTZCNVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4S/c11-6-1-3-7(4-2-6)17-10(14)8-5-13-18(15,16)9(8)12/h1-5H,12H2.
What are the key properties of (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate?
(4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate has a molecular weight of 286.70 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 117213443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).