2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C14H13N3O3S — CID 132588427

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCOc1ccc(Cc2nc3c(=O)[nH]cnc3s2)cc1OC
InChIInChI=1S/C14H13N3O3S/c1-19-9-4-3-8(5-10(9)20-2)6-11-17-12-13(18)15-7-16-14(12)21-11/h3-5,7H,6H2,1-2H3,(H,15,16,18)
InChIKeyNSRDBBHVXPARJZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.99
Rot. Bonds4

About 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 132588427) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID132588427
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCOc1ccc(Cc2nc3c(=O)[nH]cnc3s2)cc1OC
InChIInChI=1S/C14H13N3O3S/c1-19-9-4-3-8(5-10(9)20-2)6-11-17-12-13(18)15-7-16-14(12)21-11/h3-5,7H,6H2,1-2H3,(H,15,16,18)
InChIKeyNSRDBBHVXPARJZ-UHFFFAOYSA-N
XLogP1.99
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 132588427) is 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is COc1ccc(Cc2nc3c(=O)[nH]cnc3s2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is NSRDBBHVXPARJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-19-9-4-3-8(5-10(9)20-2)6-11-17-12-13(18)15-7-16-14(12)21-11/h3-5,7H,6H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 303.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 132588427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).