(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one

C14H13BrN2O2S — CID 25028947

IUPAC(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H13BrN2O2S/c1-2-11-7-19-14(18)17(11)13-16-12(8-20-13)9-3-5-10(15)6-4-9/h3-6,8,11H,2,7H2,1H3/t11-/m0/s1
InChIKeyCBGPUTUPEGCKTQ-NSHDSACASA-N
MW353.24 g/mol
LogP4.31
Rot. Bonds3

About (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one

(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 25028947) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID25028947
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H13BrN2O2S/c1-2-11-7-19-14(18)17(11)13-16-12(8-20-13)9-3-5-10(15)6-4-9/h3-6,8,11H,2,7H2,1H3/t11-/m0/s1
InChIKeyCBGPUTUPEGCKTQ-NSHDSACASA-N
XLogP4.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one
CID 25028953
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 68904588
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 25029709
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-azabicyclo[2.2.2]octan-3-one
CID 25007104
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde
CID 174574951
4-(bromomethyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168506253
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878
4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile
CID 69065544
ethyl 2-[(4S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate
CID 98539628
1-[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698484
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CID 42958604

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one (CID 25028947) is (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is CBGPUTUPEGCKTQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-2-11-7-19-14(18)17(11)13-16-12(8-20-13)9-3-5-10(15)6-4-9/h3-6,8,11H,2,7H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 353.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25028947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).