(Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine

C13H10ClNOS2 — CID 88605421

IUPAC(Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine
SMILESCC#CCO/N=C\c1ccc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C13H10ClNOS2/c1-2-3-8-16-15-9-10-4-5-11(17-10)12-6-7-13(14)18-12/h4-7,9H,8H2,1H3/b15-9-
InChIKeyJLJLUDOBNKHTGC-DHDCSXOGSA-N
MW295.82 g/mol
LogP4.50
Rot. Bonds4

About (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine

(Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine (PubChem CID 88605421) has the molecular formula C13H10ClNOS2 and a molecular weight of 295.82 g/mol. Its IUPAC name is (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine.

Molecular Properties

Compound Name(Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine
PubChem CID88605421
Molecular FormulaC13H10ClNOS2
Molecular Weight295.82 g/mol
Exact Mass294.99
IUPAC Name(Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine
SMILESCC#CCO/N=C\c1ccc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C13H10ClNOS2/c1-2-3-8-16-15-9-10-4-5-11(17-10)12-6-7-13(14)18-12/h4-7,9H,8H2,1H3/b15-9-
InChIKeyJLJLUDOBNKHTGC-DHDCSXOGSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine?
The IUPAC name of (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine (CID 88605421) is (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine.
What is the SMILES notation for (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine?
The canonical SMILES for (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine is CC#CCO/N=C\c1ccc(-c2ccc(Cl)s2)s1.
What is the InChIKey of (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine?
The InChIKey is JLJLUDOBNKHTGC-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H10ClNOS2/c1-2-3-8-16-15-9-10-4-5-11(17-10)12-6-7-13(14)18-12/h4-7,9H,8H2,1H3/b15-9-.
What are the key properties of (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine?
(Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine has a molecular weight of 295.82 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine is sourced from PubChem (CID 88605421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).