2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

C11H5F3N4S2 — CID 90880835

IUPAC2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2nccc(-c3nccs3)n2)n1
InChIInChI=1S/C11H5F3N4S2/c12-11(13,14)7-5-20-10(18-7)8-15-2-1-6(17-8)9-16-3-4-19-9/h1-5H
InChIKeyXAHGXJPLNGZMOU-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.74
Rot. Bonds2

About 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 90880835) has the molecular formula C11H5F3N4S2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID90880835
Molecular FormulaC11H5F3N4S2
Molecular Weight314.32 g/mol
Exact Mass313.99
IUPAC Name2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2nccc(-c3nccs3)n2)n1
InChIInChI=1S/C11H5F3N4S2/c12-11(13,14)7-5-20-10(18-7)8-15-2-1-6(17-8)9-16-3-4-19-9/h1-5H
InChIKeyXAHGXJPLNGZMOU-UHFFFAOYSA-N
XLogP3.74
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 53386422
4-(1,3-Thiazol-2-yl)pyrimidin-2-amine
CID 4131872
Ethanamine, N,N-dimethyl-2-((4-(2-thiazolyl)-2-pyrimidinyl)thio)-
CID 452514
1,2-Ethanediamine, N,N-dimethyl-N'-(4-(2-thiazolyl)-2-pyrimidinyl)-
CID 452515
2-Amino-6-(thiazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 2823377
4-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-thiazole
CID 60393934
N-Methyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72880410
2-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-thiazole
CID 172435467
2-(2-chloropyriMidin-4-yl)thiazole
CID 15141651
2-Methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
CID 45867204
2-ethyl-4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56872847
3-(Thiazol-2-yl)-7-trifluoromethyl-imidazo[1,2-alpha]pyrimidine
CID 9835150

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 90880835) is 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(-c2nccc(-c3nccs3)n2)n1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XAHGXJPLNGZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4S2/c12-11(13,14)7-5-20-10(18-7)8-15-2-1-6(17-8)9-16-3-4-19-9/h1-5H.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 314.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90880835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).