2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole

C20H12F3N3OS — CID 11486379

IUPAC2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccccc1-c1cccc(-c2csc(-c3ncccn3)n2)c1
InChIInChI=1S/C20H12F3N3OS/c21-20(22,23)27-17-8-2-1-7-15(17)13-5-3-6-14(11-13)16-12-28-19(26-16)18-24-9-4-10-25-18/h1-12H
InChIKeyHQENXKBSHPEXTC-UHFFFAOYSA-N
MW399.40 g/mol
LogP5.83
Rot. Bonds4

About 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole

2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole (PubChem CID 11486379) has the molecular formula C20H12F3N3OS and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
PubChem CID11486379
Molecular FormulaC20H12F3N3OS
Molecular Weight399.40 g/mol
Exact Mass399.07
IUPAC Name2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccccc1-c1cccc(-c2csc(-c3ncccn3)n2)c1
InChIInChI=1S/C20H12F3N3OS/c21-20(22,23)27-17-8-2-1-7-15(17)13-5-3-6-14(11-13)16-12-28-19(26-16)18-24-9-4-10-25-18/h1-12H
InChIKeyHQENXKBSHPEXTC-UHFFFAOYSA-N
XLogP5.83
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6r)-6-(4-Methoxyphenyl)-2-Methyl-6-(3-Pyrimidin-5-Ylphenyl)pyrrolo[3,4-D][1,3]thiazol-4-Amine
CID 71680688
2-(2-Pyrimidyl)-4-(2-hydroxyphenyl)thiazole
CID 86277538
[4-(4-Methoxy-3-methyl-phenyl)-thiazol-2-yl]-pyrimidin-2-yl-amine
CID 695894
N-[(2-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522329
2-(1H-imidazol-2-yl)-4-(2''-(trifluoromethoxy)biphenyl-3-yl)thiazole
CID 135537663
4-(3-Methoxyphenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 145970043
4-N-[[4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 118733466
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49791121
2-(Pyrazin-2-yl)-4-(2''-(trifluoromethoxy)biphenyl-3-yl)thiazole
CID 49866122
4-Methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol
CID 145967722
3-(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)phenol
CID 145967940
4-(4-Methoxyphenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 145969198

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole (CID 11486379) is 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole is FC(F)(F)Oc1ccccc1-c1cccc(-c2csc(-c3ncccn3)n2)c1.
What is the InChIKey of 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The InChIKey is HQENXKBSHPEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3OS/c21-20(22,23)27-17-8-2-1-7-15(17)13-5-3-6-14(11-13)16-12-28-19(26-16)18-24-9-4-10-25-18/h1-12H.
What are the key properties of 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole has a molecular weight of 399.40 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 11486379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).