2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol

C21H15BrFN3O2S — CID 143067246

IUPAC2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol
SMILESCOc1nc(-c2ccc(Br)cc2)nc(-c2ncc(Cc3ccc(F)cc3)s2)c1O
InChIInChI=1S/C21H15BrFN3O2S/c1-28-20-18(27)17(25-19(26-20)13-4-6-14(22)7-5-13)21-24-11-16(29-21)10-12-2-8-15(23)9-3-12/h2-9,11,27H,10H2,1H3
InChIKeyVEXGJOLCINVPBQ-UHFFFAOYSA-N
MW472.34 g/mol
LogP5.47
Rot. Bonds5

About 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol

2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol (PubChem CID 143067246) has the molecular formula C21H15BrFN3O2S and a molecular weight of 472.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol
PubChem CID143067246
Molecular FormulaC21H15BrFN3O2S
Molecular Weight472.34 g/mol
Exact Mass471.01
IUPAC Name2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol
SMILESCOc1nc(-c2ccc(Br)cc2)nc(-c2ncc(Cc3ccc(F)cc3)s2)c1O
InChIInChI=1S/C21H15BrFN3O2S/c1-28-20-18(27)17(25-19(26-20)13-4-6-14(22)7-5-13)21-24-11-16(29-21)10-12-2-8-15(23)9-3-12/h2-9,11,27H,10H2,1H3
InChIKeyVEXGJOLCINVPBQ-UHFFFAOYSA-N
XLogP5.47
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.34
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one
CID 135979002
5-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-1,3-benzothiazol-4-ol
CID 136630108
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
CID 141200208
2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine
CID 83895493
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115091945
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone
CID 90847780
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole
CID 115941752
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol?
The IUPAC name of 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol (CID 143067246) is 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol.
What is the SMILES notation for 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol?
The canonical SMILES for 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol is COc1nc(-c2ccc(Br)cc2)nc(-c2ncc(Cc3ccc(F)cc3)s2)c1O.
What is the InChIKey of 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol?
The InChIKey is VEXGJOLCINVPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrFN3O2S/c1-28-20-18(27)17(25-19(26-20)13-4-6-14(22)7-5-13)21-24-11-16(29-21)10-12-2-8-15(23)9-3-12/h2-9,11,27H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol?
2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol has a molecular weight of 472.34 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol is sourced from PubChem (CID 143067246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).