5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

C7H10F4N2S — CID 106294934

IUPAC5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C7H10F4N2S/c1-4-2-12-6(14-4)13-3-7(10,11)5(8)9/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyYLWRXCIEFMXLDV-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106294934) has the molecular formula C7H10F4N2S and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106294934
Molecular FormulaC7H10F4N2S
Molecular Weight230.23 g/mol
Exact Mass230.05
IUPAC Name5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C7H10F4N2S/c1-4-2-12-6(14-4)13-3-7(10,11)5(8)9/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyYLWRXCIEFMXLDV-UHFFFAOYSA-N
XLogP1.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106294934) is 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCC(F)(F)C(F)F)S1.
What is the InChIKey of 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YLWRXCIEFMXLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N2S/c1-4-2-12-6(14-4)13-3-7(10,11)5(8)9/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 230.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106294934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).