N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide

C14H15N3O2S — CID 2131730

IUPACN-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide
SMILESC=CCN1C(=O)CS/C1=N/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-3-8-17-13(19)9-20-14(17)16-12-6-4-11(5-7-12)15-10(2)18/h3-7H,1,8-9H2,2H3,(H,15,18)/b16-14+
InChIKeyKBEKITWBSCBXRM-JQIJEIRASA-N
MW289.36 g/mol
LogP2.39
Rot. Bonds4

About N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide

N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide (PubChem CID 2131730) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide
PubChem CID2131730
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide
SMILESC=CCN1C(=O)CS/C1=N/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-3-8-17-13(19)9-20-14(17)16-12-6-4-11(5-7-12)15-10(2)18/h3-7H,1,8-9H2,2H3,(H,15,18)/b16-14+
InChIKeyKBEKITWBSCBXRM-JQIJEIRASA-N
XLogP2.39
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide (CID 2131730) is N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide is C=CCN1C(=O)CS/C1=N/c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide?
The InChIKey is KBEKITWBSCBXRM-JQIJEIRASA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-8-17-13(19)9-20-14(17)16-12-6-4-11(5-7-12)15-10(2)18/h3-7H,1,8-9H2,2H3,(H,15,18)/b16-14+.
What are the key properties of N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide?
N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide is sourced from PubChem (CID 2131730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).