(NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine

C15H10N4O2S — CID 15956038

IUPAC(NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine
SMILESO/N=C/c1c(-c2ccccc2)nc2sc(-c3ccco3)nn12
InChIInChI=1S/C15H10N4O2S/c20-16-9-11-13(10-5-2-1-3-6-10)17-15-19(11)18-14(22-15)12-7-4-8-21-12/h1-9,20H/b16-9+
InChIKeyQODLWOMHLCCCQC-CXUHLZMHSA-N
MW310.34 g/mol
LogP3.53
Rot. Bonds3

About (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine

(NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine (PubChem CID 15956038) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine
PubChem CID15956038
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name(NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine
SMILESO/N=C/c1c(-c2ccccc2)nc2sc(-c3ccco3)nn12
InChIInChI=1S/C15H10N4O2S/c20-16-9-11-13(10-5-2-1-3-6-10)17-15-19(11)18-14(22-15)12-7-4-8-21-12/h1-9,20H/b16-9+
InChIKeyQODLWOMHLCCCQC-CXUHLZMHSA-N
XLogP3.53
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine (CID 15956038) is (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine is O/N=C/c1c(-c2ccccc2)nc2sc(-c3ccco3)nn12.
What is the InChIKey of (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine?
The InChIKey is QODLWOMHLCCCQC-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H10N4O2S/c20-16-9-11-13(10-5-2-1-3-6-10)17-15-19(11)18-14(22-15)12-7-4-8-21-12/h1-9,20H/b16-9+.
What are the key properties of (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine?
(NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine has a molecular weight of 310.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine is sourced from PubChem (CID 15956038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).