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

C17H13FN2O3S — CID 7154142

IUPACN-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2F)sc2cc3c(cc21)OCO3
InChIInChI=1S/C17H13FN2O3S/c1-2-20-12-7-13-14(23-9-22-13)8-15(12)24-17(20)19-16(21)10-5-3-4-6-11(10)18/h3-8H,2,9H2,1H3/b19-17-
InChIKeyHGMOPQNKFBBWMO-ZPHPHTNESA-N
MW344.37 g/mol
LogP3.33
Rot. Bonds2

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

N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide (PubChem CID 7154142) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide
PubChem CID7154142
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC NameN-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2F)sc2cc3c(cc21)OCO3
InChIInChI=1S/C17H13FN2O3S/c1-2-20-12-7-13-14(23-9-22-13)8-15(12)24-17(20)19-16(21)10-5-3-4-6-11(10)18/h3-8H,2,9H2,1H3/b19-17-
InChIKeyHGMOPQNKFBBWMO-ZPHPHTNESA-N
XLogP3.33
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.33
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)naphthalene-1-carboxamide
CID 42388210
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 42388277
2-bromo-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 42387985
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-oxochromene-3-carboxamide
CID 7154044
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide
CID 42524828
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2,5-dimethoxybenzamide
CID 16849024
2-methoxy-N-(7-propyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 40697376
2-methyl-N-(7-prop-2-ynyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 40508773
N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 16850885
methyl 3-[6-(2-methylbenzoyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate
CID 7541068
4-(benzenesulfonamido)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 121043811
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide
CID 43978573

Frequently Asked Questions

What is the IUPAC name of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide?
The IUPAC name of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide (CID 7154142) is N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide.
What is the SMILES notation for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide?
The canonical SMILES for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide is CCn1/c(=N/C(=O)c2ccccc2F)sc2cc3c(cc21)OCO3.
What is the InChIKey of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide?
The InChIKey is HGMOPQNKFBBWMO-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-2-20-12-7-13-14(23-9-22-13)8-15(12)24-17(20)19-16(21)10-5-3-4-6-11(10)18/h3-8H,2,9H2,1H3/b19-17-.
What are the key properties of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide?
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide has a molecular weight of 344.37 g/mol, XLogP of 3.33, 2 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-fluorobenzamide is sourced from PubChem (CID 7154142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).