4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine

C13H8F7N3S — CID 3492756

IUPAC4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine
SMILESFc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3SCCN32)cc1
InChIInChI=1S/C13H8F7N3S/c14-8-3-1-7(2-4-8)9-21-11(12(15,16)17,13(18,19)20)22-10-23(9)5-6-24-10/h1-4H,5-6H2
InChIKeyLXHBIOJSJOVCGV-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.81
Rot. Bonds1

About 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine

4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine (PubChem CID 3492756) has the molecular formula C13H8F7N3S and a molecular weight of 371.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine
PubChem CID3492756
Molecular FormulaC13H8F7N3S
Molecular Weight371.28 g/mol
Exact Mass371.03
IUPAC Name4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine
SMILESFc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3SCCN32)cc1
InChIInChI=1S/C13H8F7N3S/c14-8-3-1-7(2-4-8)9-21-11(12(15,16)17,13(18,19)20)22-10-23(9)5-6-24-10/h1-4H,5-6H2
InChIKeyLXHBIOJSJOVCGV-UHFFFAOYSA-N
XLogP3.81
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine?
The IUPAC name of 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine (CID 3492756) is 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine.
What is the SMILES notation for 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine?
The canonical SMILES for 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine is Fc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3SCCN32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine?
The InChIKey is LXHBIOJSJOVCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F7N3S/c14-8-3-1-7(2-4-8)9-21-11(12(15,16)17,13(18,19)20)22-10-23(9)5-6-24-10/h1-4H,5-6H2.
What are the key properties of 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine?
4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine has a molecular weight of 371.28 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine is sourced from PubChem (CID 3492756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).