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

C16H12N2O4S — CID 44585570

IUPACN-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)NO
InChIInChI=1S/C16H12N2O4S/c19-14(17-22)9-18-15(20)13(23-16(18)21)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8,22H,9H2,(H,17,19)/b13-8-
InChIKeyKGTWEQFPQUGRSO-JYRVWZFOSA-N
MW328.35 g/mol
LogP2.38
Rot. Bonds3

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

N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 44585570) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID44585570
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)NO
InChIInChI=1S/C16H12N2O4S/c19-14(17-22)9-18-15(20)13(23-16(18)21)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8,22H,9H2,(H,17,19)/b13-8-
InChIKeyKGTWEQFPQUGRSO-JYRVWZFOSA-N
XLogP2.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 44585570) is N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is O=C(CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)NO.
What is the InChIKey of N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is KGTWEQFPQUGRSO-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-14(17-22)9-18-15(20)13(23-16(18)21)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8,22H,9H2,(H,17,19)/b13-8-.
What are the key properties of N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 328.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 44585570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).