7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H19N3O3S — CID 18078834

IUPAC7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(CN(C)Cc2cc(=O)n3ccsc3n2)c1OC
InChIInChI=1S/C17H19N3O3S/c1-19(10-12-5-4-6-14(22-2)16(12)23-3)11-13-9-15(21)20-7-8-24-17(20)18-13/h4-9H,10-11H2,1-3H3
InChIKeyZCVGDDNLIITSAN-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.41
Rot. Bonds6

About 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18078834) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID18078834
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(CN(C)Cc2cc(=O)n3ccsc3n2)c1OC
InChIInChI=1S/C17H19N3O3S/c1-19(10-12-5-4-6-14(22-2)16(12)23-3)11-13-9-15(21)20-7-8-24-17(20)18-13/h4-9H,10-11H2,1-3H3
InChIKeyZCVGDDNLIITSAN-UHFFFAOYSA-N
XLogP2.41
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 18078834) is 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1cccc(CN(C)Cc2cc(=O)n3ccsc3n2)c1OC.
What is the InChIKey of 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZCVGDDNLIITSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-19(10-12-5-4-6-14(22-2)16(12)23-3)11-13-9-15(21)20-7-8-24-17(20)18-13/h4-9H,10-11H2,1-3H3.
What are the key properties of 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 345.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18078834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).