3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide

C18H21FN2OS — CID 43942835

IUPAC3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESC=CCn1/c(=N/C(=O)CCC2CCCC2)sc2cc(F)ccc21
InChIInChI=1S/C18H21FN2OS/c1-2-11-21-15-9-8-14(19)12-16(15)23-18(21)20-17(22)10-7-13-5-3-4-6-13/h2,8-9,12-13H,1,3-7,10-11H2/b20-18-
InChIKeyIZUKIEOITUZPKN-ZZEZOPTASA-N
MW332.44 g/mol
LogP4.43
Rot. Bonds5

About 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide

3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 43942835) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID43942835
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESC=CCn1/c(=N/C(=O)CCC2CCCC2)sc2cc(F)ccc21
InChIInChI=1S/C18H21FN2OS/c1-2-11-21-15-9-8-14(19)12-16(15)23-18(21)20-17(22)10-7-13-5-3-4-6-13/h2,8-9,12-13H,1,3-7,10-11H2/b20-18-
InChIKeyIZUKIEOITUZPKN-ZZEZOPTASA-N
XLogP4.43
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.43
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-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4997663
2-cyclopentyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942546
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2,4,6-trimethylphenyl)acetamide
CID 43944830
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 3657348
1-(4-chlorophenyl)sulfonyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide
CID 16924807
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3309128
2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
CID 43943121
3-cyclopentyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
CID 43945141
4-ethoxy-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4123905
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,5-dimethylpyrazole-3-carboxamide
CID 16952412
3-cyclohexyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
CID 43945142
3-cyclopentyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
CID 43945237

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide (CID 43942835) is 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide is C=CCn1/c(=N/C(=O)CCC2CCCC2)sc2cc(F)ccc21.
What is the InChIKey of 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is IZUKIEOITUZPKN-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-2-11-21-15-9-8-14(19)12-16(15)23-18(21)20-17(22)10-7-13-5-3-4-6-13/h2,8-9,12-13H,1,3-7,10-11H2/b20-18-.
What are the key properties of 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide?
3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 332.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 43942835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).