N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H18ClN3O3S — CID 67744064

IUPACN-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3nc(C=Cc4ccc(Cl)cc4)sc3c2)C(=O)O1
InChIInChI=1S/C21H18ClN3O3S/c1-13(26)23-11-17-12-25(21(27)28-17)16-7-8-18-19(10-16)29-20(24-18)9-4-14-2-5-15(22)6-3-14/h2-10,17H,11-12H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyKWMFBZIWLGBRPZ-KRWDZBQOSA-N
MW427.91 g/mol
LogP4.58
Rot. Bonds5

About N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 67744064) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID67744064
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC NameN-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3nc(C=Cc4ccc(Cl)cc4)sc3c2)C(=O)O1
InChIInChI=1S/C21H18ClN3O3S/c1-13(26)23-11-17-12-25(21(27)28-17)16-7-8-18-19(10-16)29-20(24-18)9-4-14-2-5-15(22)6-3-14/h2-10,17H,11-12H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyKWMFBZIWLGBRPZ-KRWDZBQOSA-N
XLogP4.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-oxo-3-[4-(3-oxoprop-1-enyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54536616
N-[[(5S)-3-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71477789
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-2-oxo-3-quinolin-6-yl-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride
CID 67664955
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70144060
N-[[(5S)-3-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173257560
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173214620
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 67744064) is N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3nc(C=Cc4ccc(Cl)cc4)sc3c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is KWMFBZIWLGBRPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-13(26)23-11-17-12-25(21(27)28-17)16-7-8-18-19(10-16)29-20(24-18)9-4-14-2-5-15(22)6-3-14/h2-10,17H,11-12H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 427.91 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[2-[2-(4-chlorophenyl)ethenyl]-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 67744064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).