5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H15F3N2S — CID 107154331

IUPAC5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2cc(F)c(F)c(F)c2)S1
InChIInChI=1S/C13H15F3N2S/c1-7(2)3-9-6-17-13(19-9)18-8-4-10(14)12(16)11(15)5-8/h4-5,7,9H,3,6H2,1-2H3,(H,17,18)
InChIKeyWEEBAVXLTXCRQI-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.03
Rot. Bonds3

About 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154331) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154331
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2cc(F)c(F)c(F)c2)S1
InChIInChI=1S/C13H15F3N2S/c1-7(2)3-9-6-17-13(19-9)18-8-4-10(14)12(16)11(15)5-8/h4-5,7,9H,3,6H2,1-2H3,(H,17,18)
InChIKeyWEEBAVXLTXCRQI-UHFFFAOYSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154331) is 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(Nc2cc(F)c(F)c(F)c2)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WEEBAVXLTXCRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-7(2)3-9-6-17-13(19-9)18-8-4-10(14)12(16)11(15)5-8/h4-5,7,9H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 288.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).