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

C4H5F3N2S — CID 20502488

IUPACN-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)NC1=NCCS1
InChIInChI=1S/C4H5F3N2S/c5-4(6,7)9-3-8-1-2-10-3/h1-2H2,(H,8,9)
InChIKeyQBGGYKBIRBHOQL-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.20
Rot. Bonds

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

N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 20502488) has the molecular formula C4H5F3N2S and a molecular weight of 170.16 g/mol. Its IUPAC name is N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID20502488
Molecular FormulaC4H5F3N2S
Molecular Weight170.16 g/mol
Exact Mass170.01
IUPAC NameN-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)NC1=NCCS1
InChIInChI=1S/C4H5F3N2S/c5-4(6,7)9-3-8-1-2-10-3/h1-2H2,(H,8,9)
InChIKeyQBGGYKBIRBHOQL-UHFFFAOYSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
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-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 20502488) is N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)NC1=NCCS1.
What is the InChIKey of N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QBGGYKBIRBHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2S/c5-4(6,7)9-3-8-1-2-10-3/h1-2H2,(H,8,9).
What are the key properties of N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 170.16 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 20502488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).