2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol

C16H15N3O3S — CID 3770949

IUPAC2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2ncncc2-c2csc(C)n2)c(O)c1OC
InChIInChI=1S/C16H15N3O3S/c1-9-19-12(7-23-9)11-6-17-8-18-14(11)10-4-5-13(21-2)16(22-3)15(10)20/h4-8,20H,1-3H3
InChIKeyXWJZYIJMSYKESC-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.30
Rot. Bonds4

About 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol

2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol (PubChem CID 3770949) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
PubChem CID3770949
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2ncncc2-c2csc(C)n2)c(O)c1OC
InChIInChI=1S/C16H15N3O3S/c1-9-19-12(7-23-9)11-6-17-8-18-14(11)10-4-5-13(21-2)16(22-3)15(10)20/h4-8,20H,1-3H3
InChIKeyXWJZYIJMSYKESC-UHFFFAOYSA-N
XLogP3.30
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol 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 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The IUPAC name of 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol (CID 3770949) is 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol is COc1ccc(-c2ncncc2-c2csc(C)n2)c(O)c1OC.
What is the InChIKey of 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The InChIKey is XWJZYIJMSYKESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-19-12(7-23-9)11-6-17-8-18-14(11)10-4-5-13(21-2)16(22-3)15(10)20/h4-8,20H,1-3H3.
What are the key properties of 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol has a molecular weight of 329.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 3770949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).