3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

C19H16F2N2S — CID 15571256

IUPAC3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESFc1ccc(C(C2=CSC3=NCCCN23)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16F2N2S/c20-15-6-2-13(3-7-15)18(14-4-8-16(21)9-5-14)17-12-24-19-22-10-1-11-23(17)19/h2-9,12,18H,1,10-11H2
InChIKeyLPYMTBQBVWEKBS-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.75
Rot. Bonds3

About 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 15571256) has the molecular formula C19H16F2N2S and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID15571256
Molecular FormulaC19H16F2N2S
Molecular Weight342.41 g/mol
Exact Mass342.10
IUPAC Name3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESFc1ccc(C(C2=CSC3=NCCCN23)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16F2N2S/c20-15-6-2-13(3-7-15)18(14-4-8-16(21)9-5-14)17-12-24-19-22-10-1-11-23(17)19/h2-9,12,18H,1,10-11H2
InChIKeyLPYMTBQBVWEKBS-UHFFFAOYSA-N
XLogP4.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 15571256) is 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is Fc1ccc(C(C2=CSC3=NCCCN23)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is LPYMTBQBVWEKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2S/c20-15-6-2-13(3-7-15)18(14-4-8-16(21)9-5-14)17-12-24-19-22-10-1-11-23(17)19/h2-9,12,18H,1,10-11H2.
What are the key properties of 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 342.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 15571256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).