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

C17H12N2O4S — CID 7284188

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate
SMILESCc1csc2nc(COC(=O)c3cc4ccccc4o3)cc(=O)n12
InChIInChI=1S/C17H12N2O4S/c1-10-9-24-17-18-12(7-15(20)19(10)17)8-22-16(21)14-6-11-4-2-3-5-13(11)23-14/h2-7,9H,8H2,1H3
InChIKeyDREGPIVLYNHIBA-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.17
Rot. Bonds3

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate (PubChem CID 7284188) has the molecular formula C17H12N2O4S and a molecular weight of 340.36 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate
PubChem CID7284188
Molecular FormulaC17H12N2O4S
Molecular Weight340.36 g/mol
Exact Mass340.05
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate
SMILESCc1csc2nc(COC(=O)c3cc4ccccc4o3)cc(=O)n12
InChIInChI=1S/C17H12N2O4S/c1-10-9-24-17-18-12(7-15(20)19(10)17)8-22-16(21)14-6-11-4-2-3-5-13(11)23-14/h2-7,9H,8H2,1H3
InChIKeyDREGPIVLYNHIBA-UHFFFAOYSA-N
XLogP3.17
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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 1-benzofuran-2-carboxylate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate (CID 7284188) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate is Cc1csc2nc(COC(=O)c3cc4ccccc4o3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate?
The InChIKey is DREGPIVLYNHIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4S/c1-10-9-24-17-18-12(7-15(20)19(10)17)8-22-16(21)14-6-11-4-2-3-5-13(11)23-14/h2-7,9H,8H2,1H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzofuran-2-carboxylate has a molecular weight of 340.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7284188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).