(NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide

C9H9IN4OS — CID 88559886

IUPAC(NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide
SMILESO=N/N=C1\SCCN1Cc1ccc(I)nc1
InChIInChI=1S/C9H9IN4OS/c10-8-2-1-7(5-11-8)6-14-3-4-16-9(14)12-13-15/h1-2,5H,3-4,6H2/b12-9-
InChIKeyFMIQOVIVPIXQEX-XFXZXTDPSA-N
MW348.17 g/mol
LogP2.27
Rot. Bonds3

About (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide

(NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide (PubChem CID 88559886) has the molecular formula C9H9IN4OS and a molecular weight of 348.17 g/mol. Its IUPAC name is (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide.

Molecular Properties

Compound Name(NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide
PubChem CID88559886
Molecular FormulaC9H9IN4OS
Molecular Weight348.17 g/mol
Exact Mass347.95
IUPAC Name(NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide
SMILESO=N/N=C1\SCCN1Cc1ccc(I)nc1
InChIInChI=1S/C9H9IN4OS/c10-8-2-1-7(5-11-8)6-14-3-4-16-9(14)12-13-15/h1-2,5H,3-4,6H2/b12-9-
InChIKeyFMIQOVIVPIXQEX-XFXZXTDPSA-N
XLogP2.27
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide?
The IUPAC name of (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide (CID 88559886) is (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide.
What is the SMILES notation for (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide?
The canonical SMILES for (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide is O=N/N=C1\SCCN1Cc1ccc(I)nc1.
What is the InChIKey of (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide?
The InChIKey is FMIQOVIVPIXQEX-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H9IN4OS/c10-8-2-1-7(5-11-8)6-14-3-4-16-9(14)12-13-15/h1-2,5H,3-4,6H2/b12-9-.
What are the key properties of (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide?
(NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide has a molecular weight of 348.17 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[(6-iodo-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitrous amide is sourced from PubChem (CID 88559886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).