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

C17H20N2O2S2 — CID 166839620

IUPAC4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3cnc(C4CCOC4)s3)cc2)CC1
InChIInChI=1S/C17H20N2O2S2/c20-23-9-6-19(7-10-23)15-3-1-13(2-4-15)16-11-18-17(22-16)14-5-8-21-12-14/h1-4,11,14H,5-10,12H2
InChIKeyCFYGDABDKVEOGD-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.88
Rot. Bonds3

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

4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide (PubChem CID 166839620) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
PubChem CID166839620
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3cnc(C4CCOC4)s3)cc2)CC1
InChIInChI=1S/C17H20N2O2S2/c20-23-9-6-19(7-10-23)15-3-1-13(2-4-15)16-11-18-17(22-16)14-5-8-21-12-14/h1-4,11,14H,5-10,12H2
InChIKeyCFYGDABDKVEOGD-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole
CID 141341183
4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839576
4-[4-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839651
4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839611
5-chloro-2-(oxolan-3-yl)-1,3-thiazole
CID 117259060
5-fluoro-2-[5-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-1,3-thiazol-2-yl]benzonitrile
CID 166839675
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 97455442
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 163230344
2-cyclopentyl-5-phenyl-1,3-thiazole
CID 174113230
2-cyclopropyl-5-(4-isocyanophenyl)-1,3-thiazole
CID 153456451
5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 118427022
1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one
CID 163868397

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide (CID 166839620) is 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide is O=S1CCN(c2ccc(-c3cnc(C4CCOC4)s3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The InChIKey is CFYGDABDKVEOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c20-23-9-6-19(7-10-23)15-3-1-13(2-4-15)16-11-18-17(22-16)14-5-8-21-12-14/h1-4,11,14H,5-10,12H2.
What are the key properties of 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide has a molecular weight of 348.49 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 166839620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).