imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane

C5H5F3N2OS2 — CID 146618911

IUPACimino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS2/c1-13(9,11)3-2-10-4(12-3)5(6,7)8/h2,9H,1H3
InChIKeyAMOWTKFLEKKEDL-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.20
Rot. Bonds1

About imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane

imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane (PubChem CID 146618911) has the molecular formula C5H5F3N2OS2 and a molecular weight of 230.24 g/mol. Its IUPAC name is imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane
PubChem CID146618911
Molecular FormulaC5H5F3N2OS2
Molecular Weight230.24 g/mol
Exact Mass229.98
IUPAC Nameimino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS2/c1-13(9,11)3-2-10-4(12-3)5(6,7)8/h2,9H,1H3
InChIKeyAMOWTKFLEKKEDL-UHFFFAOYSA-N
XLogP2.20
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane (CID 146618911) is imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane is [H]N=S(C)(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane?
The InChIKey is AMOWTKFLEKKEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2OS2/c1-13(9,11)3-2-10-4(12-3)5(6,7)8/h2,9H,1H3.
What are the key properties of imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane?
imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane has a molecular weight of 230.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-λ6-sulfane is sourced from PubChem (CID 146618911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).