2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide

C19H15N3O3S2 — CID 3847272

IUPAC2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1
InChIInChI=1S/C19H15N3O3S2/c23-16(21-18-20-8-9-26-18)10-15-17(24)22(19(25)27-15)11-13-6-3-5-12-4-1-2-7-14(12)13/h1-9,15H,10-11H2,(H,20,21,23)
InChIKeyBJFIEJIFKXCBDR-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.89
Rot. Bonds5

About 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3847272) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3847272
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC Name2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1
InChIInChI=1S/C19H15N3O3S2/c23-16(21-18-20-8-9-26-18)10-15-17(24)22(19(25)27-15)11-13-6-3-5-12-4-1-2-7-14(12)13/h1-9,15H,10-11H2,(H,20,21,23)
InChIKeyBJFIEJIFKXCBDR-UHFFFAOYSA-N
XLogP3.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 3847272) is 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1.
What is the InChIKey of 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BJFIEJIFKXCBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c23-16(21-18-20-8-9-26-18)10-15-17(24)22(19(25)27-15)11-13-6-3-5-12-4-1-2-7-14(12)13/h1-9,15H,10-11H2,(H,20,21,23).
What are the key properties of 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3847272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).