N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide

C16H12N2OS — CID 830668

IUPACN-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide
SMILESC=CC(=O)/N=c1\sc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H12N2OS/c1-2-15(19)17-16-18(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16/h2-11H,1H2/b17-16-
InChIKeyXXHCDOHPIMQVNF-MSUUIHNZSA-N
MW280.35 g/mol
LogP3.31
Rot. Bonds2

About N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide

N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide (PubChem CID 830668) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide.

Molecular Properties

Compound NameN-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide
PubChem CID830668
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC NameN-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide
SMILESC=CC(=O)/N=c1\sc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H12N2OS/c1-2-15(19)17-16-18(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16/h2-11H,1H2/b17-16-
InChIKeyXXHCDOHPIMQVNF-MSUUIHNZSA-N
XLogP3.31
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide 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

3-Phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
CID 2802078
[3-Phenyl-3H-benzothiazol-(2Z)-ylidene]-hydrazine
CID 56642950
4-Phenyl-2H-pyrimido(2,1-B)(1,3)benzothiazol-2-one
CID 10084936
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3685735
(E)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylsulfonyl)acetamide
CID 18573226
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
4-Hydroxy-3-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
CID 135473079
2(3H)-Benzothiazolimine, 3-phenyl-
CID 736970
N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline
CID 838370
N~1~,N~1~-dimethyl-N~4~-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzene-1,4-diamine
CID 838386
2-Chloromethyl-9-thia-1,4a-diaza-fluoren-4-one
CID 2111478
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
CID 2151144

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide?
The IUPAC name of N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide (CID 830668) is N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide.
What is the SMILES notation for N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide?
The canonical SMILES for N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide is C=CC(=O)/N=c1\sc2ccccc2n1-c1ccccc1.
What is the InChIKey of N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide?
The InChIKey is XXHCDOHPIMQVNF-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-2-15(19)17-16-18(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16/h2-11H,1H2/b17-16-.
What are the key properties of N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide?
N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide has a molecular weight of 280.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,3-benzothiazol-2-ylidene)prop-2-enamide is sourced from PubChem (CID 830668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).