N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide

C19H19FN2OS — CID 43984928

IUPACN-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
SMILESCCCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C19H19FN2OS/c1-2-12-22-16-10-9-15(20)13-17(16)24-19(22)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,13H,2,8,11-12H2,1H3/b21-19-
InChIKeyWHYCDIMFTFBEKT-VZCXRCSSSA-N
MW342.44 g/mol
LogP4.31
Rot. Bonds5

About N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide

N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide (PubChem CID 43984928) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
PubChem CID43984928
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
SMILESCCCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C19H19FN2OS/c1-2-12-22-16-10-9-15(20)13-17(16)24-19(22)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,13H,2,8,11-12H2,1H3/b21-19-
InChIKeyWHYCDIMFTFBEKT-VZCXRCSSSA-N
XLogP4.31
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide 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-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 43984804
N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 41133758
2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540710
4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984866
N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]-2-phenylacetamide
CID 4109963
methyl 3-[6-fluoro-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8612851
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide
CID 4227838
methyl 3-(2-butanoylimino-6-fluoro-1,3-benzothiazol-3-yl)propanoate
CID 8612832
N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 40997025
methyl 3-(6-fluoro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate
CID 8612796
N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonylpropanamide
CID 43984184
ethyl 3-[2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8611914

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide?
The IUPAC name of N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide (CID 43984928) is N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide.
What is the SMILES notation for N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide?
The canonical SMILES for N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide is CCCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide?
The InChIKey is WHYCDIMFTFBEKT-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-2-12-22-16-10-9-15(20)13-17(16)24-19(22)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,13H,2,8,11-12H2,1H3/b21-19-.
What are the key properties of N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide?
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide is sourced from PubChem (CID 43984928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).