N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide

C18H16F2N2O2S — CID 5077933

IUPACN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
SMILESCCOc1cccc2s/c(=N\C(=O)c3c(F)cccc3F)n(CC)c12
InChIInChI=1S/C18H16F2N2O2S/c1-3-22-16-13(24-4-2)9-6-10-14(16)25-18(22)21-17(23)15-11(19)7-5-8-12(15)20/h5-10H,3-4H2,1-2H3/b21-18-
InChIKeyCJYDCNMDYFYKJL-UZYVYHOESA-N
MW362.40 g/mol
LogP4.14
Rot. Bonds4

About N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide

N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide (PubChem CID 5077933) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
PubChem CID5077933
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC NameN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
SMILESCCOc1cccc2s/c(=N\C(=O)c3c(F)cccc3F)n(CC)c12
InChIInChI=1S/C18H16F2N2O2S/c1-3-22-16-13(24-4-2)9-6-10-14(16)25-18(22)21-17(23)15-11(19)7-5-8-12(15)20/h5-10H,3-4H2,1-2H3/b21-18-
InChIKeyCJYDCNMDYFYKJL-UZYVYHOESA-N
XLogP4.14
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 4051224
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4102084
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 4549679
2,5-dichloro-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4055620
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 5185543
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 4128205
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 4195493
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide
CID 3568892
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
CID 2104924
N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
CID 43943697
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4080829
2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523430

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide?
The IUPAC name of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide (CID 5077933) is N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide is CCOc1cccc2s/c(=N\C(=O)c3c(F)cccc3F)n(CC)c12.
What is the InChIKey of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide?
The InChIKey is CJYDCNMDYFYKJL-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c1-3-22-16-13(24-4-2)9-6-10-14(16)25-18(22)21-17(23)15-11(19)7-5-8-12(15)20/h5-10H,3-4H2,1-2H3/b21-18-.
What are the key properties of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide?
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide has a molecular weight of 362.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide is sourced from PubChem (CID 5077933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).