6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

C15H8Cl2N2O3S — CID 54201486

IUPAC6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(=O)c(Cl)c(C=Cc3ccccc3Cl)nc2s1
InChIInChI=1S/C15H8Cl2N2O3S/c16-9-4-2-1-3-8(9)5-6-10-12(17)13(20)19-7-11(14(21)22)23-15(19)18-10/h1-7H,(H,21,22)
InChIKeyPPOGSFSOPQGXCA-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.93
Rot. Bonds3

About 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (PubChem CID 54201486) has the molecular formula C15H8Cl2N2O3S and a molecular weight of 367.21 g/mol. Its IUPAC name is 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
PubChem CID54201486
Molecular FormulaC15H8Cl2N2O3S
Molecular Weight367.21 g/mol
Exact Mass365.96
IUPAC Name6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(=O)c(Cl)c(C=Cc3ccccc3Cl)nc2s1
InChIInChI=1S/C15H8Cl2N2O3S/c16-9-4-2-1-3-8(9)5-6-10-12(17)13(20)19-7-11(14(21)22)23-15(19)18-10/h1-7H,(H,21,22)
InChIKeyPPOGSFSOPQGXCA-UHFFFAOYSA-N
XLogP3.93
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CID 54201486) is 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(=O)c(Cl)c(C=Cc3ccccc3Cl)nc2s1.
What is the InChIKey of 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is PPOGSFSOPQGXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3S/c16-9-4-2-1-3-8(9)5-6-10-12(17)13(20)19-7-11(14(21)22)23-15(19)18-10/h1-7H,(H,21,22).
What are the key properties of 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 367.21 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 54201486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).