N-(trifluoromethyl)-1,3-thiazol-5-amine

C4H3F3N2S — CID 91280141

IUPACN-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESFC(F)(F)Nc1cncs1
InChIInChI=1S/C4H3F3N2S/c5-4(6,7)9-3-1-8-2-10-3/h1-2,9H
InChIKeySUOVQSIWDTUGDI-UHFFFAOYSA-N
MW168.14 g/mol
LogP2.07
Rot. Bonds1

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

N-(trifluoromethyl)-1,3-thiazol-5-amine (PubChem CID 91280141) has the molecular formula C4H3F3N2S and a molecular weight of 168.14 g/mol. Its IUPAC name is N-(trifluoromethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)-1,3-thiazol-5-amine
PubChem CID91280141
Molecular FormulaC4H3F3N2S
Molecular Weight168.14 g/mol
Exact Mass168.00
IUPAC NameN-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESFC(F)(F)Nc1cncs1
InChIInChI=1S/C4H3F3N2S/c5-4(6,7)9-3-1-8-2-10-3/h1-2,9H
InChIKeySUOVQSIWDTUGDI-UHFFFAOYSA-N
XLogP2.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 52.07
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)-1,3-thiazol-5-amine?
The IUPAC name of N-(trifluoromethyl)-1,3-thiazol-5-amine (CID 91280141) is N-(trifluoromethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for N-(trifluoromethyl)-1,3-thiazol-5-amine?
The canonical SMILES for N-(trifluoromethyl)-1,3-thiazol-5-amine is FC(F)(F)Nc1cncs1.
What is the InChIKey of N-(trifluoromethyl)-1,3-thiazol-5-amine?
The InChIKey is SUOVQSIWDTUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S/c5-4(6,7)9-3-1-8-2-10-3/h1-2,9H.
What are the key properties of N-(trifluoromethyl)-1,3-thiazol-5-amine?
N-(trifluoromethyl)-1,3-thiazol-5-amine has a molecular weight of 168.14 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 91280141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).