(NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine

C20H17N3OS — CID 13238085

IUPAC(NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C
InChIInChI=1S/C20H17N3OS/c1-13(22-24)19-14(2)23-18(16-11-7-4-8-12-16)17(21-20(23)25-19)15-9-5-3-6-10-15/h3-12,24H,1-2H3/b22-13+
InChIKeyJDWGYYULSFYGCP-LPYMAVHISA-N
MW347.44 g/mol
LogP5.24
Rot. Bonds3

About (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine

(NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine (PubChem CID 13238085) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine
PubChem CID13238085
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name(NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C
InChIInChI=1S/C20H17N3OS/c1-13(22-24)19-14(2)23-18(16-11-7-4-8-12-16)17(21-20(23)25-19)15-9-5-3-6-10-15/h3-12,24H,1-2H3/b22-13+
InChIKeyJDWGYYULSFYGCP-LPYMAVHISA-N
XLogP5.24
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.24
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 (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine (CID 13238085) is (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine is C/C(=N\O)c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C.
What is the InChIKey of (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine?
The InChIKey is JDWGYYULSFYGCP-LPYMAVHISA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13(22-24)19-14(2)23-18(16-11-7-4-8-12-16)17(21-20(23)25-19)15-9-5-3-6-10-15/h3-12,24H,1-2H3/b22-13+.
What are the key properties of (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine has a molecular weight of 347.44 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 13238085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).