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

C13H23F3N2S — CID 107154633

IUPAC5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCCCCC(F)(F)F)S1
InChIInChI=1S/C13H23F3N2S/c1-12(2,3)8-10-9-18-11(19-10)17-7-5-4-6-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyJCYITTDIQZXREI-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.22
Rot. Bonds5

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

5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154633) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154633
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC Name5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCCCCC(F)(F)F)S1
InChIInChI=1S/C13H23F3N2S/c1-12(2,3)8-10-9-18-11(19-10)17-7-5-4-6-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyJCYITTDIQZXREI-UHFFFAOYSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154633) is 5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NCCCCC(F)(F)F)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JCYITTDIQZXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c1-12(2,3)8-10-9-18-11(19-10)17-7-5-4-6-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 296.40 g/mol, XLogP of 4.22, 5 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-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).