N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide

C24H20N2OS — CID 43943680

IUPACN-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(-c3ccccc3)cc2)sc2cccc(C)c21
InChIInChI=1S/C24H20N2OS/c1-3-16-26-22-17(2)8-7-11-21(22)28-24(26)25-23(27)20-14-12-19(13-15-20)18-9-5-4-6-10-18/h3-15H,1,16H2,2H3/b25-24-
InChIKeyOEONQUYGILODDS-IZHYLOQSSA-N
MW384.50 g/mol
LogP5.61
Rot. Bonds4

About N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide

N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide (PubChem CID 43943680) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
PubChem CID43943680
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC NameN-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(-c3ccccc3)cc2)sc2cccc(C)c21
InChIInChI=1S/C24H20N2OS/c1-3-16-26-22-17(2)8-7-11-21(22)28-24(26)25-23(27)20-14-12-19(13-15-20)18-9-5-4-6-10-18/h3-15H,1,16H2,2H3/b25-24-
InChIKeyOEONQUYGILODDS-IZHYLOQSSA-N
XLogP5.61
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7152776
4-[benzyl(ethyl)sulfamoyl]-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944566
4-(dibutylsulfamoyl)-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944536
3,4,5-triethoxy-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944497
2-(2,5-dihydroxypyrrol-1-yl)-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 123982903
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 41016385
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43980130
4-butoxy-N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43943813
4-[benzyl(methyl)sulfamoyl]-N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944555
4-(diethylsulfamoyl)-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4614783
4-ethylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553235

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide?
The IUPAC name of N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide (CID 43943680) is N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide.
What is the SMILES notation for N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide?
The canonical SMILES for N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide is C=CCn1/c(=N/C(=O)c2ccc(-c3ccccc3)cc2)sc2cccc(C)c21.
What is the InChIKey of N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide?
The InChIKey is OEONQUYGILODDS-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-3-16-26-22-17(2)8-7-11-21(22)28-24(26)25-23(27)20-14-12-19(13-15-20)18-9-5-4-6-10-18/h3-15H,1,16H2,2H3/b25-24-.
What are the key properties of N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide?
N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide has a molecular weight of 384.50 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide is sourced from PubChem (CID 43943680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).