2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide

C12H10N2O2S2 — CID 3665298

IUPAC2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSC1=NC(=O)C(=Cc2ccccc2)S1
InChIInChI=1S/C12H10N2O2S2/c13-10(15)7-17-12-14-11(16)9(18-12)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,15)
InChIKeyCARYEYLEWNXBJW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.88
Rot. Bonds3

About 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide

2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 3665298) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID3665298
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSC1=NC(=O)C(=Cc2ccccc2)S1
InChIInChI=1S/C12H10N2O2S2/c13-10(15)7-17-12-14-11(16)9(18-12)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,15)
InChIKeyCARYEYLEWNXBJW-UHFFFAOYSA-N
XLogP1.88
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 3665298) is 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide is NC(=O)CSC1=NC(=O)C(=Cc2ccccc2)S1.
What is the InChIKey of 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is CARYEYLEWNXBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c13-10(15)7-17-12-14-11(16)9(18-12)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,15).
What are the key properties of 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide?
2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3665298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).