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

C13H23F3N2S — CID 106285502

IUPAC5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCCCC(F)(F)F)S1
InChIInChI=1S/C13H23F3N2S/c1-3-10(4-2)11-9-18-12(19-11)17-8-6-5-7-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyKKWAFYIHGAUNCZ-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.22
Rot. Bonds7

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

5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285502) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285502
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC Name5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCCCC(F)(F)F)S1
InChIInChI=1S/C13H23F3N2S/c1-3-10(4-2)11-9-18-12(19-11)17-8-6-5-7-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyKKWAFYIHGAUNCZ-UHFFFAOYSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
5-cyclopropyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296749
5-cyclopropyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63297490
5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035053
5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943224
4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943226
5-propyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943236
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
4-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943249
N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106285502) is 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCCCCC(F)(F)F)S1.
What is the InChIKey of 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KKWAFYIHGAUNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c1-3-10(4-2)11-9-18-12(19-11)17-8-6-5-7-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-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, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).