4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide

C19H16F2N2OS2 — CID 166839576

IUPAC4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3cnc(-c4c(F)cccc4F)s3)cc2)CC1
InChIInChI=1S/C19H16F2N2OS2/c20-15-2-1-3-16(21)18(15)19-22-12-17(25-19)13-4-6-14(7-5-13)23-8-10-26(24)11-9-23/h1-7,12H,8-11H2
InChIKeyYDNTULVOENTRTJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.32
Rot. Bonds3

About 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide

4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide (PubChem CID 166839576) has the molecular formula C19H16F2N2OS2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
PubChem CID166839576
Molecular FormulaC19H16F2N2OS2
Molecular Weight390.48 g/mol
Exact Mass390.07
IUPAC Name4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3cnc(-c4c(F)cccc4F)s3)cc2)CC1
InChIInChI=1S/C19H16F2N2OS2/c20-15-2-1-3-16(21)18(15)19-22-12-17(25-19)13-4-6-14(7-5-13)23-8-10-26(24)11-9-23/h1-7,12H,8-11H2
InChIKeyYDNTULVOENTRTJ-UHFFFAOYSA-N
XLogP4.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839611
5-fluoro-2-[5-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-1,3-thiazol-2-yl]benzonitrile
CID 166839675
4-[4-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839651
4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839620
4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine
CID 144828116
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 163230344
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
4-[4-[2-(3-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828418
4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 144825399
4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144901388
[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol
CID 82422702
2-fluoro-5-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]pyrazol-1-yl]benzonitrile
CID 144901331

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide (CID 166839576) is 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide is O=S1CCN(c2ccc(-c3cnc(-c4c(F)cccc4F)s3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The InChIKey is YDNTULVOENTRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2OS2/c20-15-2-1-3-16(21)18(15)19-22-12-17(25-19)13-4-6-14(7-5-13)23-8-10-26(24)11-9-23/h1-7,12H,8-11H2.
What are the key properties of 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide has a molecular weight of 390.48 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 166839576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).