4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine

C7H9F3N2OS2 — CID 106705060

IUPAC4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCOCC(F)(F)F
InChIInChI=1S/C7H9F3N2OS2/c1-4-5(15-6(11)12-4)14-3-13-2-7(8,9)10/h2-3H2,1H3,(H2,11,12)
InChIKeyPUSQGKMULBPOSW-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.66
Rot. Bonds4

About 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 106705060) has the molecular formula C7H9F3N2OS2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID106705060
Molecular FormulaC7H9F3N2OS2
Molecular Weight258.29 g/mol
Exact Mass258.01
IUPAC Name4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCOCC(F)(F)F
InChIInChI=1S/C7H9F3N2OS2/c1-4-5(15-6(11)12-4)14-3-13-2-7(8,9)10/h2-3H2,1H3,(H2,11,12)
InChIKeyPUSQGKMULBPOSW-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine (CID 106705060) is 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCOCC(F)(F)F.
What is the InChIKey of 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is PUSQGKMULBPOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS2/c1-4-5(15-6(11)12-4)14-3-13-2-7(8,9)10/h2-3H2,1H3,(H2,11,12).
What are the key properties of 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 258.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 106705060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).