(NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine

C12H13N3OS — CID 136900433

IUPAC(NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine
SMILESCc1nsnc1/C(CCc1ccccc1)=N\O
InChIInChI=1S/C12H13N3OS/c1-9-12(15-17-14-9)11(13-16)8-7-10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3/b13-11-
InChIKeySFFJGGDMUXMOOH-QBFSEMIESA-N
MW247.32 g/mol
LogP2.66
Rot. Bonds4

About (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine

(NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine (PubChem CID 136900433) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine
PubChem CID136900433
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine
SMILESCc1nsnc1/C(CCc1ccccc1)=N\O
InChIInChI=1S/C12H13N3OS/c1-9-12(15-17-14-9)11(13-16)8-7-10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3/b13-11-
InChIKeySFFJGGDMUXMOOH-QBFSEMIESA-N
XLogP2.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.66
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-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine (CID 136900433) is (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine is Cc1nsnc1/C(CCc1ccccc1)=N\O.
What is the InChIKey of (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine?
The InChIKey is SFFJGGDMUXMOOH-QBFSEMIESA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-12(15-17-14-9)11(13-16)8-7-10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3/b13-11-.
What are the key properties of (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine?
(NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine has a molecular weight of 247.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine is sourced from PubChem (CID 136900433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).