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

C11H18F4N2S — CID 106294893

IUPAC5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C11H18F4N2S/c1-10(2,3)4-7-5-16-9(18-7)17-6-11(14,15)8(12)13/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyXXBHBMBKKWBNCY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.38
Rot. Bonds4

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

5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106294893) has the molecular formula C11H18F4N2S and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106294893
Molecular FormulaC11H18F4N2S
Molecular Weight286.34 g/mol
Exact Mass286.11
IUPAC Name5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C11H18F4N2S/c1-10(2,3)4-7-5-16-9(18-7)17-6-11(14,15)8(12)13/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyXXBHBMBKKWBNCY-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.38
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

N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 57177793
5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254
5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219327
5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249861
5,5-diethyl-N-(3,3,3-trifluoropropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250844
N-(2,2-difluoroethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106251297
5,5-diethyl-N-(4,4,4-trifluorobutyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251300
5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251303
5-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106284857
5-pentan-3-yl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285251

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106294893) is 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NCC(F)(F)C(F)F)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XXBHBMBKKWBNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4N2S/c1-10(2,3)4-7-5-16-9(18-7)17-6-11(14,15)8(12)13/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 286.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106294893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).