N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine

C19H14N4S — CID 5458748

IUPACN-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
SMILESc1ccc(/C(=N\Nc2nc3ccccc3s2)c2ccccn2)cc1
InChIInChI=1S/C19H14N4S/c1-2-8-14(9-3-1)18(16-11-6-7-13-20-16)22-23-19-21-15-10-4-5-12-17(15)24-19/h1-13H,(H,21,23)/b22-18+
InChIKeyYAMFSZLGGBDHDG-RELWKKBWSA-N
MW330.42 g/mol
LogP4.56
Rot. Bonds4

About N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine

N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine (PubChem CID 5458748) has the molecular formula C19H14N4S and a molecular weight of 330.42 g/mol. Its IUPAC name is N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
PubChem CID5458748
Molecular FormulaC19H14N4S
Molecular Weight330.42 g/mol
Exact Mass330.09
IUPAC NameN-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
SMILESc1ccc(/C(=N\Nc2nc3ccccc3s2)c2ccccn2)cc1
InChIInChI=1S/C19H14N4S/c1-2-8-14(9-3-1)18(16-11-6-7-13-20-16)22-23-19-21-15-10-4-5-12-17(15)24-19/h1-13H,(H,21,23)/b22-18+
InChIKeyYAMFSZLGGBDHDG-RELWKKBWSA-N
XLogP4.56
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine (CID 5458748) is N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine is c1ccc(/C(=N\Nc2nc3ccccc3s2)c2ccccn2)cc1.
What is the InChIKey of N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine?
The InChIKey is YAMFSZLGGBDHDG-RELWKKBWSA-N. The full InChI is InChI=1S/C19H14N4S/c1-2-8-14(9-3-1)18(16-11-6-7-13-20-16)22-23-19-21-15-10-4-5-12-17(15)24-19/h1-13H,(H,21,23)/b22-18+.
What are the key properties of N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine?
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine has a molecular weight of 330.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 5458748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).