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

C8H12F4N2S — CID 106294901

IUPAC5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C8H12F4N2S/c1-2-5-3-13-7(15-5)14-4-8(11,12)6(9)10/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyHOPHTQUVCJNVOZ-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.36
Rot. Bonds4

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

5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106294901) has the molecular formula C8H12F4N2S and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106294901
Molecular FormulaC8H12F4N2S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C8H12F4N2S/c1-2-5-3-13-7(15-5)14-4-8(11,12)6(9)10/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyHOPHTQUVCJNVOZ-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N,N'-bis(2,2,3,3,3-pentafluoropropyl)carbamimidothioate
CID 20187311
N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148974
5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439897
N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63227280
N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63227324
5-methyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63227327
5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035053
CID 71758765
CID 71758765
2-(2,2,3,3-Tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 71758767
N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943213
N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943215
5-ethyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943221

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106294901) is 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(NCC(F)(F)C(F)F)S1.
What is the InChIKey of 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HOPHTQUVCJNVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2S/c1-2-5-3-13-7(15-5)14-4-8(11,12)6(9)10/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106294901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).