N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide

C10H7ClN2OS2 — CID 5411749

IUPACN-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C10H7ClN2OS2/c11-9-4-3-7(16-9)6-12-13-10(14)8-2-1-5-15-8/h1-6H,(H,13,14)/b12-6-
InChIKeyBUGOOFSOJZTYDK-SDQBBNPISA-N
MW270.77 g/mol
LogP3.23
Rot. Bonds3

About N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide

N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 5411749) has the molecular formula C10H7ClN2OS2 and a molecular weight of 270.77 g/mol. Its IUPAC name is N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID5411749
Molecular FormulaC10H7ClN2OS2
Molecular Weight270.77 g/mol
Exact Mass269.97
IUPAC NameN-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C10H7ClN2OS2/c11-9-4-3-7(16-9)6-12-13-10(14)8-2-1-5-15-8/h1-6H,(H,13,14)/b12-6-
InChIKeyBUGOOFSOJZTYDK-SDQBBNPISA-N
XLogP3.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 53.23
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 N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide (CID 5411749) is N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1ccc(Cl)s1)c1cccs1.
What is the InChIKey of N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is BUGOOFSOJZTYDK-SDQBBNPISA-N. The full InChI is InChI=1S/C10H7ClN2OS2/c11-9-4-3-7(16-9)6-12-13-10(14)8-2-1-5-15-8/h1-6H,(H,13,14)/b12-6-.
What are the key properties of N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide?
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 270.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 5411749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).