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

C16H12F3N3O2S — CID 1398785

IUPAC5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1
InChIInChI=1S/C16H12F3N3O2S/c1-8-22-11(6-25-8)13-14(20-7-21-15(13)16(17,18)19)10-4-3-9(24-2)5-12(10)23/h3-7,23H,1-2H3
InChIKeyTUIMTUVNMKAOQE-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.31
Rot. Bonds3

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

5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 1398785) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID1398785
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1
InChIInChI=1S/C16H12F3N3O2S/c1-8-22-11(6-25-8)13-14(20-7-21-15(13)16(17,18)19)10-4-3-9(24-2)5-12(10)23/h3-7,23H,1-2H3
InChIKeyTUIMTUVNMKAOQE-UHFFFAOYSA-N
XLogP4.31
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 1398785) is 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol is COc1ccc(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is TUIMTUVNMKAOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c1-8-22-11(6-25-8)13-14(20-7-21-15(13)16(17,18)19)10-4-3-9(24-2)5-12(10)23/h3-7,23H,1-2H3.
What are the key properties of 5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
5-methoxy-2-[5-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol has a molecular weight of 367.35 g/mol, XLogP of 4.31, 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)-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 1398785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).