N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide

C24H19ClN2OS — CID 43944230

IUPACN-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide
SMILESC=CCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cccc(Cl)c21
InChIInChI=1S/C24H19ClN2OS/c1-2-16-27-22-19(25)14-9-15-20(22)29-24(27)26-23(28)21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-15,21H,1,16H2/b26-24-
InChIKeyNOXRAKKVTWMWEY-LCUIJRPUSA-N
MW418.95 g/mol
LogP5.80
Rot. Bonds5

About N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide

N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide (PubChem CID 43944230) has the molecular formula C24H19ClN2OS and a molecular weight of 418.95 g/mol. Its IUPAC name is N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide
PubChem CID43944230
Molecular FormulaC24H19ClN2OS
Molecular Weight418.95 g/mol
Exact Mass418.09
IUPAC NameN-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide
SMILESC=CCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cccc(Cl)c21
InChIInChI=1S/C24H19ClN2OS/c1-2-16-27-22-19(25)14-9-15-20(22)29-24(27)26-23(28)21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-15,21H,1,16H2/b26-24-
InChIKeyNOXRAKKVTWMWEY-LCUIJRPUSA-N
XLogP5.80
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.95
LogP ≤ 55.80
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

N,N'-bis(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)decanediamide
CID 43944761
2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943994
methyl 2-[4,5-dichloro-2-(2,2-diphenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43942152
2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3550580
N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
CID 43944664
N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 43943680
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide
CID 5055627
2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7152776
2,5-dichloro-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 3536157
N,N'-bis(4,5-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)decanediamide
CID 43944756
N-(4,5-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 43944611

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide?
The IUPAC name of N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide (CID 43944230) is N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide.
What is the SMILES notation for N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide?
The canonical SMILES for N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide is C=CCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cccc(Cl)c21.
What is the InChIKey of N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide?
The InChIKey is NOXRAKKVTWMWEY-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H19ClN2OS/c1-2-16-27-22-19(25)14-9-15-20(22)29-24(27)26-23(28)21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-15,21H,1,16H2/b26-24-.
What are the key properties of N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide?
N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide has a molecular weight of 418.95 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide is sourced from PubChem (CID 43944230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).