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

C19H13N3O3S2 — CID 23428690

IUPAC(2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(/C=C1\SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1
InChIInChI=1S/C19H13N3O3S2/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/h1-10H,11H2,(H,20,21,23)/b15-10-
InChIKeyIDTONCFAHGMRQN-GDNBJRDFSA-N
MW395.47 g/mol
LogP4.01
Rot. Bonds4

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

(2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 23428690) has the molecular formula C19H13N3O3S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID23428690
Molecular FormulaC19H13N3O3S2
Molecular Weight395.47 g/mol
Exact Mass395.04
IUPAC Name(2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(/C=C1\SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1
InChIInChI=1S/C19H13N3O3S2/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/h1-10H,11H2,(H,20,21,23)/b15-10-
InChIKeyIDTONCFAHGMRQN-GDNBJRDFSA-N
XLogP4.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide (CID 23428690) is (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide is O=C(/C=C1\SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1.
What is the InChIKey of (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IDTONCFAHGMRQN-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H13N3O3S2/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/h1-10H,11H2,(H,20,21,23)/b15-10-.
What are the key properties of (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide?
(2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 395.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 23428690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).