2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H9F3N2OS — CID 59284051

IUPAC2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C(F)(F)F)nc2n(c1=O)CC(C)S2
InChIInChI=1S/C9H9F3N2OS/c1-4-3-14-7(15)5(2)6(9(10,11)12)13-8(14)16-4/h4H,3H2,1-2H3
InChIKeyVEZDHMCLRHJVFE-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.06
Rot. Bonds

About 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 59284051) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID59284051
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C(F)(F)F)nc2n(c1=O)CC(C)S2
InChIInChI=1S/C9H9F3N2OS/c1-4-3-14-7(15)5(2)6(9(10,11)12)13-8(14)16-4/h4H,3H2,1-2H3
InChIKeyVEZDHMCLRHJVFE-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 59284051) is 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1c(C(F)(F)F)nc2n(c1=O)CC(C)S2.
What is the InChIKey of 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VEZDHMCLRHJVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c1-4-3-14-7(15)5(2)6(9(10,11)12)13-8(14)16-4/h4H,3H2,1-2H3.
What are the key properties of 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 250.24 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 59284051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).