[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate

C18H17BrN2O4S — CID 51360543

IUPAC[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC[C@@H]1C=CS(=O)(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O4S/c19-15-8-6-14(7-9-15)12-21-17(10-11-26(21,23)24)13-25-18(22)20-16-4-2-1-3-5-16/h1-11,17H,12-13H2,(H,20,22)/t17-/m0/s1
InChIKeyWGOZAIOJJCVPOO-KRWDZBQOSA-N
MW437.32 g/mol
LogP3.73
Rot. Bonds5

About [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate

[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate (PubChem CID 51360543) has the molecular formula C18H17BrN2O4S and a molecular weight of 437.32 g/mol. Its IUPAC name is [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
PubChem CID51360543
Molecular FormulaC18H17BrN2O4S
Molecular Weight437.32 g/mol
Exact Mass436.01
IUPAC Name[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC[C@@H]1C=CS(=O)(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O4S/c19-15-8-6-14(7-9-15)12-21-17(10-11-26(21,23)24)13-25-18(22)20-16-4-2-1-3-5-16/h1-11,17H,12-13H2,(H,20,22)/t17-/m0/s1
InChIKeyWGOZAIOJJCVPOO-KRWDZBQOSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate with MolForge

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Related Compounds

[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
CID 51360540
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35985639
[2-(4-bromoanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35985622
[2-(2-bromoanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35985676
N-[2-(4-bromophenyl)propan-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 60343303
1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide
CID 100521055

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate?
The IUPAC name of [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate (CID 51360543) is [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate?
The canonical SMILES for [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate is O=C(Nc1ccccc1)OC[C@@H]1C=CS(=O)(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate?
The InChIKey is WGOZAIOJJCVPOO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17BrN2O4S/c19-15-8-6-14(7-9-15)12-21-17(10-11-26(21,23)24)13-25-18(22)20-16-4-2-1-3-5-16/h1-11,17H,12-13H2,(H,20,22)/t17-/m0/s1.
What are the key properties of [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate?
[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate has a molecular weight of 437.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 51360543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).