N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide

C23H19N3O5S — CID 53092420

About N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide

N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 53092420) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 53092420
• Molecular Formula: C23H19N3O5S
• Molecular Weight: 449.49 g/mol
• Exact Mass: 449.10
• IUPAC Name: N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
• SMILES: Cc1ccc(OCc2cc(=O)n3cc(C)sc3n2)c(NC(=O)c2ccc3c(c2)OCO3)c1
• InChI: InChI=1S/C23H19N3O5S/c1-13-3-5-18(29-11-16-9-21(27)26-10-14(2)32-23(26)24-16)17(7-13)25-22(28)15-4-6-19-20(8-15)31-12-30-19/h3-10H,11-12H2,1-2H3,(H,25,28)
• InChIKey: NGVSYBBJIXEGBV-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide (CID 53092420) is N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc(OCc2cc(=O)n3cc(C)sc3n2)c(NC(=O)c2ccc3c(c2)OCO3)c1.

What is the InChIKey of N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is NGVSYBBJIXEGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-13-3-5-18(29-11-16-9-21(27)26-10-14(2)32-23(26)24-16)17(7-13)25-22(28)15-4-6-19-20(8-15)31-12-30-19/h3-10H,11-12H2,1-2H3,(H,25,28).

What are the key properties of N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide?

N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53092420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).