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

C13H9F3N4S2 — CID 90749691

IUPAC2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2nc(C)cs2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C13H9F3N4S2/c1-6-3-8(11-18-7(2)4-21-11)19-10(17-6)12-20-9(5-22-12)13(14,15)16/h3-5H,1-2H3
InChIKeyPEROTOBDZRHQRX-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.36
Rot. Bonds2

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

2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 90749691) has the molecular formula C13H9F3N4S2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID90749691
Molecular FormulaC13H9F3N4S2
Molecular Weight342.37 g/mol
Exact Mass342.02
IUPAC Name2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2nc(C)cs2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C13H9F3N4S2/c1-6-3-8(11-18-7(2)4-21-11)19-10(17-6)12-20-9(5-22-12)13(14,15)16/h3-5H,1-2H3
InChIKeyPEROTOBDZRHQRX-UHFFFAOYSA-N
XLogP4.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 70843539
6-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 70843541
6-(2-Methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 70843559
6-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 70843564
2,6-Bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 89023713
2-(4-Ethynyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 89023714
2-[4-Methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 90771692
2-[4-Methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 90943264
2-[4-(4-Methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 91001661
2-[4-Methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 91001719
2-Methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
CID 91049083
2,4-Dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
CID 91214468

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 90749691) is 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cc(-c2nc(C)cs2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PEROTOBDZRHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S2/c1-6-3-8(11-18-7(2)4-21-11)19-10(17-6)12-20-9(5-22-12)13(14,15)16/h3-5H,1-2H3.
What are the key properties of 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 342.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90749691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).