(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine

C17H12Cl2N2OS2 — CID 71459029

IUPAC(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccncc1-c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C17H12Cl2N2OS2/c18-16-8-12(17(19)24-16)14(21-22)10-23-15-6-7-20-9-13(15)11-4-2-1-3-5-11/h1-9,22H,10H2/b21-14+
InChIKeyIXRMDBAFPTZNIF-KGENOOAVSA-N
MW395.34 g/mol
LogP6.09
Rot. Bonds5

About (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine

(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine (PubChem CID 71459029) has the molecular formula C17H12Cl2N2OS2 and a molecular weight of 395.34 g/mol. Its IUPAC name is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine
PubChem CID71459029
Molecular FormulaC17H12Cl2N2OS2
Molecular Weight395.34 g/mol
Exact Mass393.98
IUPAC Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccncc1-c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C17H12Cl2N2OS2/c18-16-8-12(17(19)24-16)14(21-22)10-23-15-6-7-20-9-13(15)11-4-2-1-3-5-11/h1-9,22H,10H2/b21-14+
InChIKeyIXRMDBAFPTZNIF-KGENOOAVSA-N
XLogP6.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine (CID 71459029) is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine is O/N=C(\CSc1ccncc1-c1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine?
The InChIKey is IXRMDBAFPTZNIF-KGENOOAVSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS2/c18-16-8-12(17(19)24-16)14(21-22)10-23-15-6-7-20-9-13(15)11-4-2-1-3-5-11/h1-9,22H,10H2/b21-14+.
What are the key properties of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine?
(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine has a molecular weight of 395.34 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-phenyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine is sourced from PubChem (CID 71459029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).