7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione

C8H6F3N3S — CID 178130706

IUPAC7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
SMILESCc1cc(=S)n2cc(C(F)(F)F)[nH]c2n1
InChIInChI=1S/C8H6F3N3S/c1-4-2-6(15)14-3-5(8(9,10)11)13-7(14)12-4/h2-3H,1H3,(H,12,13)
InChIKeyIZFMOVCKKBPDFH-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.72
Rot. Bonds

About 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione

7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione (PubChem CID 178130706) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione.

Molecular Properties

Compound Name7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
PubChem CID178130706
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
SMILESCc1cc(=S)n2cc(C(F)(F)F)[nH]c2n1
InChIInChI=1S/C8H6F3N3S/c1-4-2-6(15)14-3-5(8(9,10)11)13-7(14)12-4/h2-3H,1H3,(H,12,13)
InChIKeyIZFMOVCKKBPDFH-UHFFFAOYSA-N
XLogP2.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 83399520

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The IUPAC name of 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione (CID 178130706) is 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione.
What is the SMILES notation for 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The canonical SMILES for 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione is Cc1cc(=S)n2cc(C(F)(F)F)[nH]c2n1.
What is the InChIKey of 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The InChIKey is IZFMOVCKKBPDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-4-2-6(15)14-3-5(8(9,10)11)13-7(14)12-4/h2-3H,1H3,(H,12,13).
What are the key properties of 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione has a molecular weight of 233.22 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione is sourced from PubChem (CID 178130706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).