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

C5H5F3N2S2 — CID 24689991

IUPAC5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SCC(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S2/c6-5(7,8)2-11-3-1-10-4(9)12-3/h1H,2H2,(H2,9,10)
InChIKeyBKSNZHRJUJPUIB-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.38
Rot. Bonds2

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

5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 24689991) has the molecular formula C5H5F3N2S2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID24689991
Molecular FormulaC5H5F3N2S2
Molecular Weight214.24 g/mol
Exact Mass213.98
IUPAC Name5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SCC(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S2/c6-5(7,8)2-11-3-1-10-4(9)12-3/h1H,2H2,(H2,9,10)
InChIKeyBKSNZHRJUJPUIB-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine (CID 24689991) is 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine is Nc1ncc(SCC(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is BKSNZHRJUJPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S2/c6-5(7,8)2-11-3-1-10-4(9)12-3/h1H,2H2,(H2,9,10).
What are the key properties of 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine?
5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 214.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24689991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).