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

C18H16F3N3OS — CID 122674215

IUPAC2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole
SMILESCOc1cc(-c2ncc(CCc3ccc(C(F)(F)F)cc3)s2)nc(C)n1
InChIInChI=1S/C18H16F3N3OS/c1-11-23-15(9-16(24-11)25-2)17-22-10-14(26-17)8-5-12-3-6-13(7-4-12)18(19,20)21/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyJLDZNZKCKUDWNV-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.72
Rot. Bonds5

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

2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole (PubChem CID 122674215) 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-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole
PubChem CID122674215
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole
SMILESCOc1cc(-c2ncc(CCc3ccc(C(F)(F)F)cc3)s2)nc(C)n1
InChIInChI=1S/C18H16F3N3OS/c1-11-23-15(9-16(24-11)25-2)17-22-10-14(26-17)8-5-12-3-6-13(7-4-12)18(19,20)21/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyJLDZNZKCKUDWNV-UHFFFAOYSA-N
XLogP4.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.72
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-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole?
The IUPAC name of 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole (CID 122674215) is 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole is COc1cc(-c2ncc(CCc3ccc(C(F)(F)F)cc3)s2)nc(C)n1.
What is the InChIKey of 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole?
The InChIKey is JLDZNZKCKUDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-11-23-15(9-16(24-11)25-2)17-22-10-14(26-17)8-5-12-3-6-13(7-4-12)18(19,20)21/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole?
2-(6-methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole has a molecular weight of 379.41 g/mol, XLogP of 4.72, 5 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-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole is sourced from PubChem (CID 122674215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).