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

C14H11F3N4S2 — CID 91357608

IUPAC4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nc(C)c(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C14H11F3N4S2/c1-6-4-9(12-19-7(2)8(3)23-12)20-11(18-6)13-21-10(5-22-13)14(15,16)17/h4-5H,1-3H3
InChIKeyKOZJHVZDVXQJHD-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.67
Rot. Bonds2

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

4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 91357608) has the molecular formula C14H11F3N4S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID91357608
Molecular FormulaC14H11F3N4S2
Molecular Weight356.40 g/mol
Exact Mass356.04
IUPAC Name4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nc(C)c(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C14H11F3N4S2/c1-6-4-9(12-19-7(2)8(3)23-12)20-11(18-6)13-21-10(5-22-13)14(15,16)17/h4-5H,1-3H3
InChIKeyKOZJHVZDVXQJHD-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

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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-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 90749691
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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole (CID 91357608) is 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole is Cc1cc(-c2nc(C)c(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is KOZJHVZDVXQJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4S2/c1-6-4-9(12-19-7(2)8(3)23-12)20-11(18-6)13-21-10(5-22-13)14(15,16)17/h4-5H,1-3H3.
What are the key properties of 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
4,5-dimethyl-2-[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 4,5-dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 91357608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).