4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine

C19H16N4O3S — CID 66592801

IUPAC4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2cn3c(n2)sc2cc(N4CCOCC4)ccc23)cc1
InChIInChI=1S/C19H16N4O3S/c24-23(25)14-3-1-13(2-4-14)16-12-22-17-6-5-15(21-7-9-26-10-8-21)11-18(17)27-19(22)20-16/h1-6,11-12H,7-10H2
InChIKeyZKHGYTUZGOQVNK-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.96
Rot. Bonds3

About 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine

4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine (PubChem CID 66592801) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine
PubChem CID66592801
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2cn3c(n2)sc2cc(N4CCOCC4)ccc23)cc1
InChIInChI=1S/C19H16N4O3S/c24-23(25)14-3-1-13(2-4-14)16-12-22-17-6-5-15(21-7-9-26-10-8-21)11-18(17)27-19(22)20-16/h1-6,11-12H,7-10H2
InChIKeyZKHGYTUZGOQVNK-UHFFFAOYSA-N
XLogP3.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
CID 137320011
2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide
CID 11509559
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
[2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22523647
[4-[6-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea;hydrochloride
CID 141189449
4-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenyl]morpholine
CID 8685617
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411
2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
CID 82030712
2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
CID 1211584
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 2806480

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine?
The IUPAC name of 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine (CID 66592801) is 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine.
What is the SMILES notation for 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine?
The canonical SMILES for 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine is O=[N+]([O-])c1ccc(-c2cn3c(n2)sc2cc(N4CCOCC4)ccc23)cc1.
What is the InChIKey of 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine?
The InChIKey is ZKHGYTUZGOQVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-23(25)14-3-1-13(2-4-14)16-12-22-17-6-5-15(21-7-9-26-10-8-21)11-18(17)27-19(22)20-16/h1-6,11-12H,7-10H2.
What are the key properties of 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine?
4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine has a molecular weight of 380.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine is sourced from PubChem (CID 66592801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).