2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole

C14H11F3N4S2 — CID 91214468

IUPAC2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2sc(C)nc2C)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C14H11F3N4S2/c1-6-4-9(11-7(2)19-8(3)23-11)20-12(18-6)13-21-10(5-22-13)14(15,16)17/h4-5H,1-3H3
InChIKeyXXSLWZPRFKRLEE-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.67
Rot. Bonds2

About 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole

2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 91214468) has the molecular formula C14H11F3N4S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID91214468
Molecular FormulaC14H11F3N4S2
Molecular Weight356.40 g/mol
Exact Mass356.04
IUPAC Name2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2sc(C)nc2C)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C14H11F3N4S2/c1-6-4-9(11-7(2)19-8(3)23-11)20-12(18-6)13-21-10(5-22-13)14(15,16)17/h4-5H,1-3H3
InChIKeyXXSLWZPRFKRLEE-UHFFFAOYSA-N
XLogP4.67
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole with MolForge

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Related Compounds

4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole
CID 91188517
6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 70843559
5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416158
6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 89023717
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
CID 91125969
3-[6-amino-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]thiophene-2-carbonitrile
CID 70843522
[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]oxyphosphane
CID 89410561
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 91274831
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylbenzoic acid
CID 126619412
cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide
CID 143934376

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole (CID 91214468) is 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole is Cc1cc(-c2sc(C)nc2C)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is XXSLWZPRFKRLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4S2/c1-6-4-9(11-7(2)19-8(3)23-11)20-12(18-6)13-21-10(5-22-13)14(15,16)17/h4-5H,1-3H3.
What are the key properties of 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 356.40 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 91214468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).