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

C15H15BrN2O2S — CID 25028953

IUPAC(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@H]1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C15H15BrN2O2S/c1-2-3-12-8-20-15(19)18(12)14-17-13(9-21-14)10-4-6-11(16)7-5-10/h4-7,9,12H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyPMPBPLHLONTURA-LBPRGKRZSA-N
MW367.27 g/mol
LogP4.70
Rot. Bonds4

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

(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one (PubChem CID 25028953) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one
PubChem CID25028953
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@H]1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C15H15BrN2O2S/c1-2-3-12-8-20-15(19)18(12)14-17-13(9-21-14)10-4-6-11(16)7-5-10/h4-7,9,12H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyPMPBPLHLONTURA-LBPRGKRZSA-N
XLogP4.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-(4-(4-Bromophenyl)Thiazol-2-yl)Morpholine
CID 720656
1-[4-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737
N-[1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinyl]carbamic acid tert-butyl ester
CID 46907667
[1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 46907697
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-[(oxolan-2-yl)methyl]acetamide
CID 3795365
(E)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-morpholin-4-ylmethanimine
CID 9568135
[4-(4-Bromophenyl)thiazol-2-yl]-(pyrrolidinomethylene)amine
CID 9660894
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-morpholinecarboxamide
CID 1076583
4-[[4-[[4-(4-Bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one
CID 171355477
Ethyl 2-[2-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]acetate
CID 172466480
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-bis(2-hydroxyethyl)methanimidamide
CID 9608889
4-[[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-methylamino]butanoic acid
CID 1224966

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one (CID 25028953) is (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one is CCC[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-propyl-1,3-oxazolidin-2-one?
The InChIKey is PMPBPLHLONTURA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-2-3-12-8-20-15(19)18(12)14-17-13(9-21-14)10-4-6-11(16)7-5-10/h4-7,9,12H,2-3,8H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one?
(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one has a molecular weight of 367.27 g/mol, XLogP of 4.70, 4 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-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25028953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).