N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C12H13ClN2O2S — CID 9209720

IUPACN-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2S/c13-10-4-2-1-3-9(10)5-14-11(16)6-15-8-18-7-12(15)17/h1-4H,5-8H2,(H,14,16)
InChIKeyVVMUQNNEMAMFDP-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.49
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9209720) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9209720
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2S/c13-10-4-2-1-3-9(10)5-14-11(16)6-15-8-18-7-12(15)17/h1-4H,5-8H2,(H,14,16)
InChIKeyVVMUQNNEMAMFDP-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17397065
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 32775046
N-(furan-2-ylmethyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 30376287
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55934028
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 20886561
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
N-[(2-chlorophenyl)methyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98367184

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9209720) is N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is VVMUQNNEMAMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-10-4-2-1-3-9(10)5-14-11(16)6-15-8-18-7-12(15)17/h1-4H,5-8H2,(H,14,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 284.77 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9209720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).