N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide

C22H15N5OS — CID 67625173

IUPACN-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1c(-c2ccccc2)nc2sc3ccccc3n12)c1cccnc1
InChIInChI=1S/C22H15N5OS/c28-21(16-9-6-12-23-13-16)26-24-14-18-20(15-7-2-1-3-8-15)25-22-27(18)17-10-4-5-11-19(17)29-22/h1-14H,(H,26,28)
InChIKeyHQNZZZSHHCLBLU-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.37
Rot. Bonds4

About N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide

N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 67625173) has the molecular formula C22H15N5OS and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID67625173
Molecular FormulaC22H15N5OS
Molecular Weight397.46 g/mol
Exact Mass397.10
IUPAC NameN-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1c(-c2ccccc2)nc2sc3ccccc3n12)c1cccnc1
InChIInChI=1S/C22H15N5OS/c28-21(16-9-6-12-23-13-16)26-24-14-18-20(15-7-2-1-3-8-15)25-22-27(18)17-10-4-5-11-19(17)29-22/h1-14H,(H,26,28)
InChIKeyHQNZZZSHHCLBLU-UHFFFAOYSA-N
XLogP4.37
TPSA71.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide
CID 67624379
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]pyridine-3-carboxamide
CID 135733865
(E)-3-[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]prop-2-enamide
CID 170877242
N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 50855840
(E)-3-[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]prop-2-enoate
CID 6197804
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide (CID 67625173) is N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1c(-c2ccccc2)nc2sc3ccccc3n12)c1cccnc1.
What is the InChIKey of N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is HQNZZZSHHCLBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5OS/c28-21(16-9-6-12-23-13-16)26-24-14-18-20(15-7-2-1-3-8-15)25-22-27(18)17-10-4-5-11-19(17)29-22/h1-14H,(H,26,28).
What are the key properties of N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide?
N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 67625173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).