5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole

C11H15F4N3S — CID 133351981

IUPAC5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCN(CC(F)(F)C(F)F)CC2)s1
InChIInChI=1S/C11H15F4N3S/c1-8-6-16-10(19-8)18-4-2-17(3-5-18)7-11(14,15)9(12)13/h6,9H,2-5,7H2,1H3
InChIKeyIUTWMLUEYUBUKB-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.47
Rot. Bonds4

About 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole

5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 133351981) has the molecular formula C11H15F4N3S and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole
PubChem CID133351981
Molecular FormulaC11H15F4N3S
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCN(CC(F)(F)C(F)F)CC2)s1
InChIInChI=1S/C11H15F4N3S/c1-8-6-16-10(19-8)18-4-2-17(3-5-18)7-11(14,15)9(12)13/h6,9H,2-5,7H2,1H3
InChIKeyIUTWMLUEYUBUKB-UHFFFAOYSA-N
XLogP2.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole (CID 133351981) is 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole is Cc1cnc(N2CCN(CC(F)(F)C(F)F)CC2)s1.
What is the InChIKey of 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is IUTWMLUEYUBUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3S/c1-8-6-16-10(19-8)18-4-2-17(3-5-18)7-11(14,15)9(12)13/h6,9H,2-5,7H2,1H3.
What are the key properties of 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole?
5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 297.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 133351981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).