7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H21N3O4S — CID 4882482

IUPAC7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(CN(C)Cc2cc(=O)n3ccsc3n2)c(OC)c1OC
InChIInChI=1S/C18H21N3O4S/c1-20(11-13-9-15(22)21-7-8-26-18(21)19-13)10-12-5-6-14(23-2)17(25-4)16(12)24-3/h5-9H,10-11H2,1-4H3
InChIKeyRTNBFFHMVUBYHS-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.41
Rot. Bonds7

About 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4882482) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4882482
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(CN(C)Cc2cc(=O)n3ccsc3n2)c(OC)c1OC
InChIInChI=1S/C18H21N3O4S/c1-20(11-13-9-15(22)21-7-8-26-18(21)19-13)10-12-5-6-14(23-2)17(25-4)16(12)24-3/h5-9H,10-11H2,1-4H3
InChIKeyRTNBFFHMVUBYHS-UHFFFAOYSA-N
XLogP2.41
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4882482) is 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccc(CN(C)Cc2cc(=O)n3ccsc3n2)c(OC)c1OC.
What is the InChIKey of 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RTNBFFHMVUBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-20(11-13-9-15(22)21-7-8-26-18(21)19-13)10-12-5-6-14(23-2)17(25-4)16(12)24-3/h5-9H,10-11H2,1-4H3.
What are the key properties of 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 375.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4882482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).