1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione

C11H10F3N3O2S — CID 122155057

IUPAC1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(C)c(=O)n(Cc2nc(C(F)(F)F)cs2)c1=O
InChIInChI=1S/C11H10F3N3O2S/c1-6-3-16(2)10(19)17(9(6)18)4-8-15-7(5-20-8)11(12,13)14/h3,5H,4H2,1-2H3
InChIKeyHODXPDXSEIUNPN-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.38
Rot. Bonds2

About 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione

1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 122155057) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID122155057
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(C)c(=O)n(Cc2nc(C(F)(F)F)cs2)c1=O
InChIInChI=1S/C11H10F3N3O2S/c1-6-3-16(2)10(19)17(9(6)18)4-8-15-7(5-20-8)11(12,13)14/h3,5H,4H2,1-2H3
InChIKeyHODXPDXSEIUNPN-UHFFFAOYSA-N
XLogP1.38
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione (CID 122155057) is 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione is Cc1cn(C)c(=O)n(Cc2nc(C(F)(F)F)cs2)c1=O.
What is the InChIKey of 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is HODXPDXSEIUNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-6-3-16(2)10(19)17(9(6)18)4-8-15-7(5-20-8)11(12,13)14/h3,5H,4H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione?
1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 305.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 122155057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).