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

C12H21F3N2S — CID 114168440

IUPAC5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC(C)CC(F)(F)F)S1
InChIInChI=1S/C12H21F3N2S/c1-4-9(5-2)10-7-16-11(18-10)17-8(3)6-12(13,14)15/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyQFUUOKNBGBQSGN-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.82
Rot. Bonds5

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

5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114168440) 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-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114168440
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC(C)CC(F)(F)F)S1
InChIInChI=1S/C12H21F3N2S/c1-4-9(5-2)10-7-16-11(18-10)17-8(3)6-12(13,14)15/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyQFUUOKNBGBQSGN-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 54087907
5-cyclopropyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63297490
4-ethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943218
5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-ethyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943221
4-ethyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943223
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-methyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943243

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 114168440) is 5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC(C)CC(F)(F)F)S1.
What is the InChIKey of 5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QFUUOKNBGBQSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c1-4-9(5-2)10-7-16-11(18-10)17-8(3)6-12(13,14)15/h8-10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.38 g/mol, XLogP of 3.82, 5 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-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114168440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).