N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H11F3N2S — CID 54073440

IUPACN-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)N(Cc1ccccc1)C1=NCCS1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)16(10-15-6-7-17-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyMIAZLDWKJFJIIW-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.11
Rot. Bonds2

About N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54073440) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54073440
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC NameN-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)N(Cc1ccccc1)C1=NCCS1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)16(10-15-6-7-17-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyMIAZLDWKJFJIIW-UHFFFAOYSA-N
XLogP3.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54073440) is N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)N(Cc1ccccc1)C1=NCCS1.
What is the InChIKey of N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MIAZLDWKJFJIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-11(13,14)16(10-15-6-7-17-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54073440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).