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

C12H21F3N2S — CID 106285501

IUPAC5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCCC(F)(F)F)S1
InChIInChI=1S/C12H21F3N2S/c1-3-9(4-2)10-8-17-11(18-10)16-7-5-6-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyGKUDWDBDSPGEQN-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.83
Rot. Bonds6

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

5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285501) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285501
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCCC(F)(F)F)S1
InChIInChI=1S/C12H21F3N2S/c1-3-9(4-2)10-8-17-11(18-10)16-7-5-6-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyGKUDWDBDSPGEQN-UHFFFAOYSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.83
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-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106285501) is 5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCCCC(F)(F)F)S1.
What is the InChIKey of 5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GKUDWDBDSPGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c1-3-9(4-2)10-8-17-11(18-10)16-7-5-6-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.38 g/mol, XLogP of 3.83, 6 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-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).