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

C9H13F3N2OS2 — CID 89288602

IUPACmethyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane
SMILESCN=S(C)(=O)C(C)(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS2/c1-8(2,17(4,15)13-3)6-5-14-7(16-6)9(10,11)12/h5H,1-4H3
InChIKeyKOSAQCPLMIDMQB-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.12
Rot. Bonds2

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

methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane (PubChem CID 89288602) has the molecular formula C9H13F3N2OS2 and a molecular weight of 286.34 g/mol. Its IUPAC name is methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane.

Molecular Properties

Compound Namemethyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane
PubChem CID89288602
Molecular FormulaC9H13F3N2OS2
Molecular Weight286.34 g/mol
Exact Mass286.04
IUPAC Namemethyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane
SMILESCN=S(C)(=O)C(C)(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS2/c1-8(2,17(4,15)13-3)6-5-14-7(16-6)9(10,11)12/h5H,1-4H3
InChIKeyKOSAQCPLMIDMQB-UHFFFAOYSA-N
XLogP3.12
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane?
The IUPAC name of methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane (CID 89288602) is methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane.
What is the SMILES notation for methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane?
The canonical SMILES for methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane is CN=S(C)(=O)C(C)(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane?
The InChIKey is KOSAQCPLMIDMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS2/c1-8(2,17(4,15)13-3)6-5-14-7(16-6)9(10,11)12/h5H,1-4H3.
What are the key properties of methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane?
methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane has a molecular weight of 286.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-λ6-sulfane is sourced from PubChem (CID 89288602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).