2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole

C18H16F3N3OS — CID 122674214

IUPAC2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole
SMILESCOc1cc(-c2ncc(C(C)c3ccc(C(F)(F)F)cc3)s2)nc(C)n1
InChIInChI=1S/C18H16F3N3OS/c1-10(12-4-6-13(7-5-12)18(19,20)21)15-9-22-17(26-15)14-8-16(25-3)24-11(2)23-14/h4-10H,1-3H3
InChIKeyVGJDJYAYKZFOPO-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.09
Rot. Bonds4

About 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole

2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole (PubChem CID 122674214) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole
PubChem CID122674214
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole
SMILESCOc1cc(-c2ncc(C(C)c3ccc(C(F)(F)F)cc3)s2)nc(C)n1
InChIInChI=1S/C18H16F3N3OS/c1-10(12-4-6-13(7-5-12)18(19,20)21)15-9-22-17(26-15)14-8-16(25-3)24-11(2)23-14/h4-10H,1-3H3
InChIKeyVGJDJYAYKZFOPO-UHFFFAOYSA-N
XLogP5.09
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole?
The IUPAC name of 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole (CID 122674214) is 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole is COc1cc(-c2ncc(C(C)c3ccc(C(F)(F)F)cc3)s2)nc(C)n1.
What is the InChIKey of 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole?
The InChIKey is VGJDJYAYKZFOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-10(12-4-6-13(7-5-12)18(19,20)21)15-9-22-17(26-15)14-8-16(25-3)24-11(2)23-14/h4-10H,1-3H3.
What are the key properties of 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole?
2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole has a molecular weight of 379.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole is sourced from PubChem (CID 122674214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).