N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine

C15H12N4OS — CID 162667923

IUPACN-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine
SMILESc1cnc2c(c1)OCC/C2=N\Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N4OS/c1-2-6-13-10(4-1)17-15(21-13)19-18-11-7-9-20-12-5-3-8-16-14(11)12/h1-6,8H,7,9H2,(H,17,19)/b18-11+
InChIKeyLZONFFJCCGKUAX-WOJGMQOQSA-N
MW296.36 g/mol
LogP3.29
Rot. Bonds2

About N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine

N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 162667923) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine
PubChem CID162667923
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine
SMILESc1cnc2c(c1)OCC/C2=N\Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N4OS/c1-2-6-13-10(4-1)17-15(21-13)19-18-11-7-9-20-12-5-3-8-16-14(11)12/h1-6,8H,7,9H2,(H,17,19)/b18-11+
InChIKeyLZONFFJCCGKUAX-WOJGMQOQSA-N
XLogP3.29
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.29
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'}

Analyze N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine (CID 162667923) is N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine is c1cnc2c(c1)OCC/C2=N\Nc1nc2ccccc2s1.
What is the InChIKey of N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is LZONFFJCCGKUAX-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-2-6-13-10(4-1)17-15(21-13)19-18-11-7-9-20-12-5-3-8-16-14(11)12/h1-6,8H,7,9H2,(H,17,19)/b18-11+.
What are the key properties of N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine?
N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 296.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162667923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).