(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C14H15N3O4S — CID 2341070

IUPAC(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCOCCN1C(=O)CS/C1=C(/C#N)C(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O4S/c1-20-6-4-17-12(18)9-22-14(17)11(7-15)13(19)16-8-10-3-2-5-21-10/h2-3,5H,4,6,8-9H2,1H3,(H,16,19)/b14-11-
InChIKeyCRBGHXOZNJAWBI-KAMYIIQDSA-N
MW321.36 g/mol
LogP0.85
Rot. Bonds6

About (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2341070) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID2341070
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCOCCN1C(=O)CS/C1=C(/C#N)C(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O4S/c1-20-6-4-17-12(18)9-22-14(17)11(7-15)13(19)16-8-10-3-2-5-21-10/h2-3,5H,4,6,8-9H2,1H3,(H,16,19)/b14-11-
InChIKeyCRBGHXOZNJAWBI-KAMYIIQDSA-N
XLogP0.85
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 2341070) is (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is COCCN1C(=O)CS/C1=C(/C#N)C(=O)NCc1ccco1.
What is the InChIKey of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is CRBGHXOZNJAWBI-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-20-6-4-17-12(18)9-22-14(17)11(7-15)13(19)16-8-10-3-2-5-21-10/h2-3,5H,4,6,8-9H2,1H3,(H,16,19)/b14-11-.
What are the key properties of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 321.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2341070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).