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

C23H25N3O3S — CID 11761657

IUPAC(4S)-4-benzyl-3-[(4S,5S)-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)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-25(2)20-19(15-30-21(24-20)17-11-7-4-8-12-17)22(27)26-18(14-29-23(26)28)13-16-9-5-3-6-10-16/h3-12,18-20H,13-15H2,1-2H3/t18-,19-,20+/m0/s1
InChIKeySHUZVQYRZJBKAF-SLFFLAALSA-N
MW423.54 g/mol
LogP3.27
Rot. Bonds5

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

(4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 11761657) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID11761657
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name(4S)-4-benzyl-3-[(4S,5S)-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)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-25(2)20-19(15-30-21(24-20)17-11-7-4-8-12-17)22(27)26-18(14-29-23(26)28)13-16-9-5-3-6-10-16/h3-12,18-20H,13-15H2,1-2H3/t18-,19-,20+/m0/s1
InChIKeySHUZVQYRZJBKAF-SLFFLAALSA-N
XLogP3.27
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one
CID 102096568
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871815
(4R)-4-benzyl-3-[(3S,4R)-3-methyloxane-4-carbonyl]-1,3-oxazolidin-2-one
CID 68847598
(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 160537927
(4S)-4-benzyl-3-but-2-ynoyl-1,3-oxazolidin-2-one
CID 10243489
(4S)-4-benzyl-3-[(3S,4S)-1-benzyl-4-ethylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871826
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (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) is (4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(4S,5S)-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)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is SHUZVQYRZJBKAF-SLFFLAALSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-25(2)20-19(15-30-21(24-20)17-11-7-4-8-12-17)22(27)26-18(14-29-23(26)28)13-16-9-5-3-6-10-16/h3-12,18-20H,13-15H2,1-2H3/t18-,19-,20+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 423.54 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(4S,5S)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11761657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).