N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide

C18H15FN2O3S — CID 42524828

IUPACN-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc3c(cc21)OCO3
InChIInChI=1S/C18H15FN2O3S/c1-2-21-13-8-14-15(24-10-23-14)9-16(13)25-18(21)20-17(22)7-11-3-5-12(19)6-4-11/h3-6,8-9H,2,7,10H2,1H3/b20-18-
InChIKeyRJLMPQISQWFMLZ-ZZEZOPTASA-N
MW358.39 g/mol
LogP3.26
Rot. Bonds3

About N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide

N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide (PubChem CID 42524828) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide
PubChem CID42524828
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc3c(cc21)OCO3
InChIInChI=1S/C18H15FN2O3S/c1-2-21-13-8-14-15(24-10-23-14)9-16(13)25-18(21)20-17(22)7-11-3-5-12(19)6-4-11/h3-6,8-9H,2,7,10H2,1H3/b20-18-
InChIKeyRJLMPQISQWFMLZ-ZZEZOPTASA-N
XLogP3.26
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide
CID 7154142
N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)acetamide
CID 16850940
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide
CID 43978573
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide
CID 43978543
ethyl 2-[6-[2-(4-chlorophenyl)acetyl]imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 16912371
2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 7154030
N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)butanamide
CID 7154169
2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 43978622
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 40700423
2-(4-methoxyphenyl)-N-(7-prop-2-ynyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 40700335
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-propylpentanamide
CID 43978535
4-benzylsulfonyl-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)butanamide
CID 42558277

Frequently Asked Questions

What is the IUPAC name of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide (CID 42524828) is N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide is CCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc3c(cc21)OCO3.
What is the InChIKey of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide?
The InChIKey is RJLMPQISQWFMLZ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-2-21-13-8-14-15(24-10-23-14)9-16(13)25-18(21)20-17(22)7-11-3-5-12(19)6-4-11/h3-6,8-9H,2,7,10H2,1H3/b20-18-.
What are the key properties of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide?
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42524828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).