dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

C16H14ClNO6S — CID 1472038

IUPACdimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2cccc(Cl)c2)n2c1CS(=O)(=O)C2
InChIInChI=1S/C16H14ClNO6S/c1-23-15(19)12-11-7-25(21,22)8-18(11)14(13(12)16(20)24-2)9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3
InChIKeyFTHHFNPKSFBFEN-UHFFFAOYSA-N
MW383.81 g/mol
LogP2.27
Rot. Bonds3

About dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (PubChem CID 1472038) has the molecular formula C16H14ClNO6S and a molecular weight of 383.81 g/mol. Its IUPAC name is dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
PubChem CID1472038
Molecular FormulaC16H14ClNO6S
Molecular Weight383.81 g/mol
Exact Mass383.02
IUPAC Namedimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2cccc(Cl)c2)n2c1CS(=O)(=O)C2
InChIInChI=1S/C16H14ClNO6S/c1-23-15(19)12-11-7-25(21,22)8-18(11)14(13(12)16(20)24-2)9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3
InChIKeyFTHHFNPKSFBFEN-UHFFFAOYSA-N
XLogP2.27
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CID 1472038) is dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c(-c2cccc(Cl)c2)n2c1CS(=O)(=O)C2.
What is the InChIKey of dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is FTHHFNPKSFBFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO6S/c1-23-15(19)12-11-7-25(21,22)8-18(11)14(13(12)16(20)24-2)9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3.
What are the key properties of dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 383.81 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(3-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 1472038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).