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

C16H15N3O2S — CID 767612

IUPAC5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2nc(C)ncc2-c2csc(C)n2)c(O)c1
InChIInChI=1S/C16H15N3O2S/c1-9-17-7-13(14-8-22-10(2)19-14)16(18-9)12-5-4-11(21-3)6-15(12)20/h4-8,20H,1-3H3
InChIKeyJNCDVGQSDHBKSL-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.60
Rot. Bonds3

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

5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol (PubChem CID 767612) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
PubChem CID767612
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2nc(C)ncc2-c2csc(C)n2)c(O)c1
InChIInChI=1S/C16H15N3O2S/c1-9-17-7-13(14-8-22-10(2)19-14)16(18-9)12-5-4-11(21-3)6-15(12)20/h4-8,20H,1-3H3
InChIKeyJNCDVGQSDHBKSL-UHFFFAOYSA-N
XLogP3.60
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(Pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 751906
2-(2-Pyrimidyl)-4-(2-hydroxyphenyl)thiazole
CID 86277538
[4-(4-Methoxy-3-methyl-phenyl)-thiazol-2-yl]-pyrimidin-2-yl-amine
CID 695894
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,3-diol
CID 806165
5-Methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 1398785
4-[2-(Pyrimidin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 751871
2,6-Dimethoxy-4-(2-(2-morpholinopyrimidin-4-yl)thiazol-4-yl)phenol
CID 45487755
5-Methoxy-2-(2-methyl-5-phenylpyrimidin-4-yl)phenol
CID 1943270
4-[2-(3-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,3-diol
CID 653114
2-Amino-4-(2-hydroxy-4-methoxyphenyl)-5-(2-methyl-4-thiazolyl)pyrimidine
CID 721859
4-[2-[(5-Methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 751913
2-(2-Amino-5-(2-methylthiazol-4-yl)pyrimidin-4-yl)-5-methoxy-4-propylphenol
CID 1068819

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol (CID 767612) is 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol is COc1ccc(-c2nc(C)ncc2-c2csc(C)n2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The InChIKey is JNCDVGQSDHBKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-17-7-13(14-8-22-10(2)19-14)16(18-9)12-5-4-11(21-3)6-15(12)20/h4-8,20H,1-3H3.
What are the key properties of 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol has a molecular weight of 313.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 767612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).