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

C15H13N3O2S — CID 657979

IUPAC5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2ncncc2-c2csc(C)n2)c(O)c1
InChIInChI=1S/C15H13N3O2S/c1-9-18-13(7-21-9)12-6-16-8-17-15(12)11-4-3-10(20-2)5-14(11)19/h3-8,19H,1-2H3
InChIKeyNOMNUEAMJJTMGN-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.29
Rot. Bonds3

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

5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol (PubChem CID 657979) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
PubChem CID657979
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2ncncc2-c2csc(C)n2)c(O)c1
InChIInChI=1S/C15H13N3O2S/c1-9-18-13(7-21-9)12-6-16-8-17-15(12)11-4-3-10(20-2)5-14(11)19/h3-8,19H,1-2H3
InChIKeyNOMNUEAMJJTMGN-UHFFFAOYSA-N
XLogP3.29
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.29
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
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
2,3-Dimethoxy-6-(5-(2-methylthiazol-4-yl)pyrimidin-4-yl)phenol
CID 3770949

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol (CID 657979) is 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol is COc1ccc(-c2ncncc2-c2csc(C)n2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
The InChIKey is NOMNUEAMJJTMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-18-13(7-21-9)12-6-16-8-17-15(12)11-4-3-10(20-2)5-14(11)19/h3-8,19H,1-2H3.
What are the key properties of 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol?
5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol has a molecular weight of 299.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 657979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).