N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine

C15H14N4S — CID 162671557

IUPACN-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine
SMILESCCc1ccc(/C=N/Nc2nc3ccccc3s2)nc1
InChIInChI=1S/C15H14N4S/c1-2-11-7-8-12(16-9-11)10-17-19-15-18-13-5-3-4-6-14(13)20-15/h3-10H,2H2,1H3,(H,18,19)/b17-10+
InChIKeyWLPAPTYUNCLFKG-LICLKQGHSA-N
MW282.37 g/mol
LogP3.70
Rot. Bonds4

About N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine

N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 162671557) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine
PubChem CID162671557
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine
SMILESCCc1ccc(/C=N/Nc2nc3ccccc3s2)nc1
InChIInChI=1S/C15H14N4S/c1-2-11-7-8-12(16-9-11)10-17-19-15-18-13-5-3-4-6-14(13)20-15/h3-10H,2H2,1H3,(H,18,19)/b17-10+
InChIKeyWLPAPTYUNCLFKG-LICLKQGHSA-N
XLogP3.70
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.70
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)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine (CID 162671557) is N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine is CCc1ccc(/C=N/Nc2nc3ccccc3s2)nc1.
What is the InChIKey of N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is WLPAPTYUNCLFKG-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N4S/c1-2-11-7-8-12(16-9-11)10-17-19-15-18-13-5-3-4-6-14(13)20-15/h3-10H,2H2,1H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine?
N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162671557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).