(2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide

C11H13N3O3S — CID 89100163

IUPAC(2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide
SMILESC=C(CO)NC(=O)/C(C#N)=C1\SCC(=O)N1CC
InChIInChI=1S/C11H13N3O3S/c1-3-14-9(16)6-18-11(14)8(4-12)10(17)13-7(2)5-15/h15H,2-3,5-6H2,1H3,(H,13,17)/b11-8-
InChIKeyZRNRHTDQSAONJU-FLIBITNWSA-N
MW267.31 g/mol
LogP-0.06
Rot. Bonds4

About (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide

(2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide (PubChem CID 89100163) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide
PubChem CID89100163
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name(2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide
SMILESC=C(CO)NC(=O)/C(C#N)=C1\SCC(=O)N1CC
InChIInChI=1S/C11H13N3O3S/c1-3-14-9(16)6-18-11(14)8(4-12)10(17)13-7(2)5-15/h15H,2-3,5-6H2,1H3,(H,13,17)/b11-8-
InChIKeyZRNRHTDQSAONJU-FLIBITNWSA-N
XLogP-0.06
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide (CID 89100163) is (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide is C=C(CO)NC(=O)/C(C#N)=C1\SCC(=O)N1CC.
What is the InChIKey of (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide?
The InChIKey is ZRNRHTDQSAONJU-FLIBITNWSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-3-14-9(16)6-18-11(14)8(4-12)10(17)13-7(2)5-15/h15H,2-3,5-6H2,1H3,(H,13,17)/b11-8-.
What are the key properties of (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide?
(2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide has a molecular weight of 267.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(3-hydroxyprop-1-en-2-yl)acetamide is sourced from PubChem (CID 89100163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).