3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one

C16H19N3O3S — CID 102096568

IUPAC3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCN(C)[C@@H]1N=C(c2ccccc2)SC[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C16H19N3O3S/c1-18(2)13-12(15(20)19-8-9-22-16(19)21)10-23-14(17-13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyCPXROJLKZQXWRK-OLZOCXBDSA-N
MW333.41 g/mol
LogP1.66
Rot. Bonds3

About 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one

3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 102096568) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID102096568
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCN(C)[C@@H]1N=C(c2ccccc2)SC[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C16H19N3O3S/c1-18(2)13-12(15(20)19-8-9-22-16(19)21)10-23-14(17-13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyCPXROJLKZQXWRK-OLZOCXBDSA-N
XLogP1.66
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one
CID 11761657
benzyl (4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carboxylate
CID 11002726
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 139985373
3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 101221348
(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
CID 62916930
3-[(3S,4R)-5-(3-chlorophenyl)-4-ethyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl]-1,3-oxazolidin-2-one
CID 25011038
(4S)-4-(2-bromopropan-2-yl)-2-phenyl-4,5-dihydro-1,3-thiazole
CID 125491532
3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene
CID 144509444
3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284
3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985376
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889

Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one (CID 102096568) is 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one is CN(C)[C@@H]1N=C(c2ccccc2)SC[C@H]1C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is CPXROJLKZQXWRK-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-18(2)13-12(15(20)19-8-9-22-16(19)21)10-23-14(17-13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one?
3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 333.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102096568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).