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

C13H12Cl2N2OS2 — CID 71453660

IUPAC(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine
SMILESCCc1cnccc1SC/C(=N\O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H12Cl2N2OS2/c1-2-8-6-16-4-3-11(8)19-7-10(17-18)9-5-12(14)20-13(9)15/h3-6,18H,2,7H2,1H3/b17-10+
InChIKeyVMWSVSRCXGQOKP-LICLKQGHSA-N
MW347.29 g/mol
LogP4.98
Rot. Bonds5

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

(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine (PubChem CID 71453660) has the molecular formula C13H12Cl2N2OS2 and a molecular weight of 347.29 g/mol. Its IUPAC name is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine
PubChem CID71453660
Molecular FormulaC13H12Cl2N2OS2
Molecular Weight347.29 g/mol
Exact Mass345.98
IUPAC Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine
SMILESCCc1cnccc1SC/C(=N\O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H12Cl2N2OS2/c1-2-8-6-16-4-3-11(8)19-7-10(17-18)9-5-12(14)20-13(9)15/h3-6,18H,2,7H2,1H3/b17-10+
InChIKeyVMWSVSRCXGQOKP-LICLKQGHSA-N
XLogP4.98
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.98
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-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine (CID 71453660) is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine is CCc1cnccc1SC/C(=N\O)c1cc(Cl)sc1Cl.
What is the InChIKey of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine?
The InChIKey is VMWSVSRCXGQOKP-LICLKQGHSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS2/c1-2-8-6-16-4-3-11(8)19-7-10(17-18)9-5-12(14)20-13(9)15/h3-6,18H,2,7H2,1H3/b17-10+.
What are the key properties of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine?
(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-[(3-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine has a molecular weight of 347.29 g/mol, XLogP of 4.98, 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-ethyl-4-pyridinyl)sulfanyl]ethylidene]hydroxylamine is sourced from PubChem (CID 71453660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).