(2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide

C15H11N3O3S — CID 6056754

IUPAC(2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccs1
InChIInChI=1S/C15H11N3O3S/c16-13(19)10-8-9-4-1-2-5-11(9)21-15(10)18-17-14(20)12-6-3-7-22-12/h1-8H,(H2,16,19)(H,17,20)/b18-15+
InChIKeyVUSURLYJKKYVKJ-OBGWFSINSA-N
MW313.34 g/mol
LogP1.84
Rot. Bonds3

About (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide

(2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide (PubChem CID 6056754) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide
PubChem CID6056754
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name(2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccs1
InChIInChI=1S/C15H11N3O3S/c16-13(19)10-8-9-4-1-2-5-11(9)21-15(10)18-17-14(20)12-6-3-7-22-12/h1-8H,(H2,16,19)(H,17,20)/b18-15+
InChIKeyVUSURLYJKKYVKJ-OBGWFSINSA-N
XLogP1.84
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide?
The IUPAC name of (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide (CID 6056754) is (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide.
What is the SMILES notation for (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide?
The canonical SMILES for (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide is NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccs1.
What is the InChIKey of (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide?
The InChIKey is VUSURLYJKKYVKJ-OBGWFSINSA-N. The full InChI is InChI=1S/C15H11N3O3S/c16-13(19)10-8-9-4-1-2-5-11(9)21-15(10)18-17-14(20)12-6-3-7-22-12/h1-8H,(H2,16,19)(H,17,20)/b18-15+.
What are the key properties of (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide?
(2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(thiophene-2-carbonylhydrazinylidene)chromene-3-carboxamide is sourced from PubChem (CID 6056754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).