5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine

C4H3F3N2S2 — CID 43625014

IUPAC5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SC(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S2/c5-4(6,7)11-2-1-9-3(8)10-2/h1H,(H2,8,9)
InChIKeyXKLWMZJAEPSJEB-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.34
Rot. Bonds1

About 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine

5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 43625014) has the molecular formula C4H3F3N2S2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID43625014
Molecular FormulaC4H3F3N2S2
Molecular Weight200.21 g/mol
Exact Mass199.97
IUPAC Name5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SC(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S2/c5-4(6,7)11-2-1-9-3(8)10-2/h1H,(H2,8,9)
InChIKeyXKLWMZJAEPSJEB-UHFFFAOYSA-N
XLogP2.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine (CID 43625014) is 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine is Nc1ncc(SC(F)(F)F)s1.
What is the InChIKey of 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is XKLWMZJAEPSJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S2/c5-4(6,7)11-2-1-9-3(8)10-2/h1H,(H2,8,9).
What are the key properties of 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine?
5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 200.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43625014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).