(5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide

C9H12F3N3O3S2 — CID 146619293

IUPAC(5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N[C@H](c2nccs2)CCN1CCOC(F)(F)F
InChIInChI=1S/C9H12F3N3O3S2/c10-9(11,12)18-5-4-15-3-1-7(14-20(15,16)17)8-13-2-6-19-8/h2,6-7,14H,1,3-5H2/t7-/m0/s1
InChIKeyUWFWZSPOOUHDKJ-ZETCQYMHSA-N
MW331.34 g/mol
LogP1.26
Rot. Bonds4

About (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide

(5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 146619293) has the molecular formula C9H12F3N3O3S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name(5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID146619293
Molecular FormulaC9H12F3N3O3S2
Molecular Weight331.34 g/mol
Exact Mass331.03
IUPAC Name(5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N[C@H](c2nccs2)CCN1CCOC(F)(F)F
InChIInChI=1S/C9H12F3N3O3S2/c10-9(11,12)18-5-4-15-3-1-7(14-20(15,16)17)8-13-2-6-19-8/h2,6-7,14H,1,3-5H2/t7-/m0/s1
InChIKeyUWFWZSPOOUHDKJ-ZETCQYMHSA-N
XLogP1.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 146619293) is (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)N[C@H](c2nccs2)CCN1CCOC(F)(F)F.
What is the InChIKey of (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is UWFWZSPOOUHDKJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12F3N3O3S2/c10-9(11,12)18-5-4-15-3-1-7(14-20(15,16)17)8-13-2-6-19-8/h2,6-7,14H,1,3-5H2/t7-/m0/s1.
What are the key properties of (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide?
(5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 331.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 146619293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).