4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide

C19H16F3N3O2S — CID 144828436

IUPAC4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3coc(-c4cncc(C(F)(F)F)c4)n3)cc2)CC1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)15-9-14(10-23-11-15)18-24-17(12-27-18)13-1-3-16(4-2-13)25-5-7-28(26)8-6-25/h1-4,9-12H,5-8H2
InChIKeyLCLDAAUTHUBDGB-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.99
Rot. Bonds3

About 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide

4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide (PubChem CID 144828436) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
PubChem CID144828436
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3coc(-c4cncc(C(F)(F)F)c4)n3)cc2)CC1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)15-9-14(10-23-11-15)18-24-17(12-27-18)13-1-3-16(4-2-13)25-5-7-28(26)8-6-25/h1-4,9-12H,5-8H2
InChIKeyLCLDAAUTHUBDGB-UHFFFAOYSA-N
XLogP3.99
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide with MolForge

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Related Compounds

N-(1-cyanocyclopropyl)cyclohexanecarboxamide;4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828435
4-[4-[2-(3-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828418
3-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-1,3-oxazol-2-yl]benzonitrile
CID 144828334
4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828357
N-(1-cyanocyclopropyl)cyclohexanecarboxamide;4-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828322
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 155675192
2-(4-methyl-3-pyridinyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole
CID 86217446
1,1,1-trifluoro-2-[4-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]pyrazol-1-yl]phenyl]propan-2-ol
CID 166813596
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole
CID 143910178
4-(1-oxo-1,4-thiazinan-4-yl)benzoic acid
CID 55150925

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide (CID 144828436) is 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide is O=S1CCN(c2ccc(-c3coc(-c4cncc(C(F)(F)F)c4)n3)cc2)CC1.
What is the InChIKey of 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The InChIKey is LCLDAAUTHUBDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)15-9-14(10-23-11-15)18-24-17(12-27-18)13-1-3-16(4-2-13)25-5-7-28(26)8-6-25/h1-4,9-12H,5-8H2.
What are the key properties of 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide has a molecular weight of 407.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 144828436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).