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

C13H9F3N4OS2 — CID 91049083

IUPAC2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCOc1nc(-c2cc(C)nc(-c3nc(C(F)(F)F)cs3)n2)cs1
InChIInChI=1S/C13H9F3N4OS2/c1-6-3-7(8-4-23-12(19-8)21-2)18-10(17-6)11-20-9(5-22-11)13(14,15)16/h3-5H,1-2H3
InChIKeyBLLNKSFSSGLCRK-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.06
Rot. Bonds3

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

2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 91049083) has the molecular formula C13H9F3N4OS2 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID91049083
Molecular FormulaC13H9F3N4OS2
Molecular Weight358.37 g/mol
Exact Mass358.02
IUPAC Name2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCOc1nc(-c2cc(C)nc(-c3nc(C(F)(F)F)cs3)n2)cs1
InChIInChI=1S/C13H9F3N4OS2/c1-6-3-7(8-4-23-12(19-8)21-2)18-10(17-6)11-20-9(5-22-11)13(14,15)16/h3-5H,1-2H3
InChIKeyBLLNKSFSSGLCRK-UHFFFAOYSA-N
XLogP4.06
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole (CID 91049083) is 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole is COc1nc(-c2cc(C)nc(-c3nc(C(F)(F)F)cs3)n2)cs1.
What is the InChIKey of 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is BLLNKSFSSGLCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4OS2/c1-6-3-7(8-4-23-12(19-8)21-2)18-10(17-6)11-20-9(5-22-11)13(14,15)16/h3-5H,1-2H3.
What are the key properties of 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 358.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 91049083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).