N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide

C12H12N2O2S2 — CID 51674371

IUPACN-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cccc(NC(=O)C[C@H]2SC(=S)NC2=O)c1
InChIInChI=1S/C12H12N2O2S2/c1-7-3-2-4-8(5-7)13-10(15)6-9-11(16)14-12(17)18-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,17)/t9-/m1/s1
InChIKeyDRXSRAZEMJTTRC-SECBINFHSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds3

About N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide

N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide (PubChem CID 51674371) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
PubChem CID51674371
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cccc(NC(=O)C[C@H]2SC(=S)NC2=O)c1
InChIInChI=1S/C12H12N2O2S2/c1-7-3-2-4-8(5-7)13-10(15)6-9-11(16)14-12(17)18-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,17)/t9-/m1/s1
InChIKeyDRXSRAZEMJTTRC-SECBINFHSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25220247
3-[[2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 93020293
N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674362
N-(3-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982363
N-(3-methylphenyl)-2-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135495346
N-(4-chlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220255
N-(4-chlorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020224
2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135890287
2-chloro-5-[[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid
CID 25220301
N-(1H-indol-5-yl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020330
N-(2-bromophenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020213
N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 2040113

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide (CID 51674371) is N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide is Cc1cccc(NC(=O)C[C@H]2SC(=S)NC2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is DRXSRAZEMJTTRC-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-7-3-2-4-8(5-7)13-10(15)6-9-11(16)14-12(17)18-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,17)/t9-/m1/s1.
What are the key properties of N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 51674371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).