5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide

C11H8ClN3OS — CID 25237230

IUPAC5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cccnc1)c1ccc(Cl)s1
InChIInChI=1S/C11H8ClN3OS/c12-10-4-3-9(17-10)11(16)15-14-7-8-2-1-5-13-6-8/h1-7H,(H,15,16)/b14-7-
InChIKeyDGYBUEOKDOQJOJ-AUWJEWJLSA-N
MW265.73 g/mol
LogP2.56
Rot. Bonds3

About 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide

5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide (PubChem CID 25237230) has the molecular formula C11H8ClN3OS and a molecular weight of 265.73 g/mol. Its IUPAC name is 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide
PubChem CID25237230
Molecular FormulaC11H8ClN3OS
Molecular Weight265.73 g/mol
Exact Mass265.01
IUPAC Name5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cccnc1)c1ccc(Cl)s1
InChIInChI=1S/C11H8ClN3OS/c12-10-4-3-9(17-10)11(16)15-14-7-8-2-1-5-13-6-8/h1-7H,(H,15,16)/b14-7-
InChIKeyDGYBUEOKDOQJOJ-AUWJEWJLSA-N
XLogP2.56
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide (CID 25237230) is 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1cccnc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide?
The InChIKey is DGYBUEOKDOQJOJ-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H8ClN3OS/c12-10-4-3-9(17-10)11(16)15-14-7-8-2-1-5-13-6-8/h1-7H,(H,15,16)/b14-7-.
What are the key properties of 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide?
5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide has a molecular weight of 265.73 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 25237230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).