5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine

C15H14N4OS — CID 56829048

IUPAC5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine
SMILESCOc1cccc(-c2csc(-c3cnc(C)nc3N)n2)c1
InChIInChI=1S/C15H14N4OS/c1-9-17-7-12(14(16)18-9)15-19-13(8-21-15)10-4-3-5-11(6-10)20-2/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyZBXORQYLQUGIBT-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.17
Rot. Bonds3

About 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine

5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine (PubChem CID 56829048) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine
PubChem CID56829048
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine
SMILESCOc1cccc(-c2csc(-c3cnc(C)nc3N)n2)c1
InChIInChI=1S/C15H14N4OS/c1-9-17-7-12(14(16)18-9)15-19-13(8-21-15)10-4-3-5-11(6-10)20-2/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyZBXORQYLQUGIBT-UHFFFAOYSA-N
XLogP3.17
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 63020540
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 46246000
4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine
CID 82452981
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
dimethyl 4-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70415150
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 18270223
5-(2,4-dimethylpyrimidin-5-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 99821058
2-[(5R)-3,5-dimethyl-5,6,7,8-tetrahydroisoquinolin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 95880521
5-(3-methoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 15280859

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine (CID 56829048) is 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine is COc1cccc(-c2csc(-c3cnc(C)nc3N)n2)c1.
What is the InChIKey of 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine?
The InChIKey is ZBXORQYLQUGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-17-7-12(14(16)18-9)15-19-13(8-21-15)10-4-3-5-11(6-10)20-2/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine?
5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine has a molecular weight of 298.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 56829048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).