N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine

C15H14N4S — CID 162655441

IUPACN-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2s1)c1ccccc1N
InChIInChI=1S/C15H14N4S/c1-10(11-6-2-3-7-12(11)16)18-19-15-17-13-8-4-5-9-14(13)20-15/h2-9H,16H2,1H3,(H,17,19)/b18-10+
InChIKeyAVHMHSPGSXLJOJ-VCHYOVAHSA-N
MW282.37 g/mol
LogP3.71
Rot. Bonds3

About N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine

N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 162655441) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
PubChem CID162655441
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2s1)c1ccccc1N
InChIInChI=1S/C15H14N4S/c1-10(11-6-2-3-7-12(11)16)18-19-15-17-13-8-4-5-9-14(13)20-15/h2-9H,16H2,1H3,(H,17,19)/b18-10+
InChIKeyAVHMHSPGSXLJOJ-VCHYOVAHSA-N
XLogP3.71
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(2-aminophenyl)ethylideneamino]-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

Related Compounds

N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017093
N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
CID 4283631
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 29223445
N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
CID 5351439
2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-1H-pyridin-4-one
CID 145130276
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097
ethyl 3-(1,3-benzothiazol-2-ylhydrazinylidene)butanoate
CID 71353880
N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 3249853
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
6-[5-[N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]thiophen-2-yl]pyridine-2-carboxylic acid
CID 78168402
N'-(1,3-benzothiazol-2-ylamino)-N-[(2-ethylphenyl)methylidene]ethanimidamide
CID 138517648

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine (CID 162655441) is N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine is C/C(=N\Nc1nc2ccccc2s1)c1ccccc1N.
What is the InChIKey of N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is AVHMHSPGSXLJOJ-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10(11-6-2-3-7-12(11)16)18-19-15-17-13-8-4-5-9-14(13)20-15/h2-9H,16H2,1H3,(H,17,19)/b18-10+.
What are the key properties of N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162655441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).