2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C16H12N2O3S — CID 44586139

IUPAC2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H12N2O3S/c17-14(19)9-18-15(20)13(22-16(18)21)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H2,17,19)/b13-8-
InChIKeyGZVUUQQUHWOYIB-JYRVWZFOSA-N
MW312.35 g/mol
LogP2.36
Rot. Bonds3

About 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 44586139) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID44586139
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H12N2O3S/c17-14(19)9-18-15(20)13(22-16(18)21)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H2,17,19)/b13-8-
InChIKeyGZVUUQQUHWOYIB-JYRVWZFOSA-N
XLogP2.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 44586139) is 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is NC(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O.
What is the InChIKey of 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is GZVUUQQUHWOYIB-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H12N2O3S/c17-14(19)9-18-15(20)13(22-16(18)21)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H2,17,19)/b13-8-.
What are the key properties of 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 312.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 44586139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).