(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate

C15H10Cl2N2O3S — CID 7724328

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate
SMILESCc1csc2nc(COC(=O)c3cc(Cl)cc(Cl)c3)cc(=O)n12
InChIInChI=1S/C15H10Cl2N2O3S/c1-8-7-23-15-18-12(5-13(20)19(8)15)6-22-14(21)9-2-10(16)4-11(17)3-9/h2-5,7H,6H2,1H3
InChIKeyFGJBYRFYOIFYSM-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.73
Rot. Bonds3

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate (PubChem CID 7724328) has the molecular formula C15H10Cl2N2O3S and a molecular weight of 369.23 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate
PubChem CID7724328
Molecular FormulaC15H10Cl2N2O3S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate
SMILESCc1csc2nc(COC(=O)c3cc(Cl)cc(Cl)c3)cc(=O)n12
InChIInChI=1S/C15H10Cl2N2O3S/c1-8-7-23-15-18-12(5-13(20)19(8)15)6-22-14(21)9-2-10(16)4-11(17)3-9/h2-5,7H,6H2,1H3
InChIKeyFGJBYRFYOIFYSM-UHFFFAOYSA-N
XLogP3.73
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate (CID 7724328) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate is Cc1csc2nc(COC(=O)c3cc(Cl)cc(Cl)c3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate?
The InChIKey is FGJBYRFYOIFYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3S/c1-8-7-23-15-18-12(5-13(20)19(8)15)6-22-14(21)9-2-10(16)4-11(17)3-9/h2-5,7H,6H2,1H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate has a molecular weight of 369.23 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-dichlorobenzoate is sourced from PubChem (CID 7724328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).