2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide

C18H15FN2O2S — CID 43942632

IUPAC2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESC=CCn1/c(=N/C(=O)COc2ccc(F)cc2)sc2ccccc21
InChIInChI=1S/C18H15FN2O2S/c1-2-11-21-15-5-3-4-6-16(15)24-18(21)20-17(22)12-23-14-9-7-13(19)8-10-14/h2-10H,1,11-12H2/b20-18-
InChIKeyCVRKQHFFVOEBEN-ZZEZOPTASA-N
MW342.40 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide

2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 43942632) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID43942632
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESC=CCn1/c(=N/C(=O)COc2ccc(F)cc2)sc2ccccc21
InChIInChI=1S/C18H15FN2O2S/c1-2-11-21-15-5-3-4-6-16(15)24-18(21)20-17(22)12-23-14-9-7-13(19)8-10-14/h2-10H,1,11-12H2/b20-18-
InChIKeyCVRKQHFFVOEBEN-ZZEZOPTASA-N
XLogP3.53
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide 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

2-(4-methylphenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942661
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenoxy)acetamide
CID 43980291
N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5223678
2-(2-fluorophenoxy)-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943015
2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943994
methyl 2-[2-[2-(4-methoxyphenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43939797
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-methylphenoxy)acetamide
CID 43980311
2-(4-methoxyphenoxy)-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943061
N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxyphenoxy)acetamide
CID 43942771
2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
CID 43943137
4-propan-2-yloxy-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3410426
4-ethoxy-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4123905

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide (CID 43942632) is 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide is C=CCn1/c(=N/C(=O)COc2ccc(F)cc2)sc2ccccc21.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is CVRKQHFFVOEBEN-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-2-11-21-15-5-3-4-6-16(15)24-18(21)20-17(22)12-23-14-9-7-13(19)8-10-14/h2-10H,1,11-12H2/b20-18-.
What are the key properties of 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 43942632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).