N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide

C18H17FN2O3S — CID 4190709

IUPACN-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
SMILESCOCCn1/c(=N/C(=O)COc2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C18H17FN2O3S/c1-23-10-9-21-15-8-7-13(19)11-16(15)25-18(21)20-17(22)12-24-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3/b20-18-
InChIKeyUTFZOUZCVLTREW-ZZEZOPTASA-N
MW360.41 g/mol
LogP2.99
Rot. Bonds6

About N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide

N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide (PubChem CID 4190709) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
PubChem CID4190709
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
SMILESCOCCn1/c(=N/C(=O)COc2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C18H17FN2O3S/c1-23-10-9-21-15-8-7-13(19)11-16(15)25-18(21)20-17(22)12-24-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3/b20-18-
InChIKeyUTFZOUZCVLTREW-ZZEZOPTASA-N
XLogP2.99
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 2151170
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 2151172
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 3453986
N-(2-methoxyphenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine
CID 838385
1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol
CID 3570121
(E)-N-(4-ethoxy-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-3-(phenylsulfonyl)propanamide
CID 7153853
(Z)-N-(3-allyl-4-methoxybenzo[d]thiazol-2(3H)-ylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 16194588
(E)-N-(3-ethyl-4-methoxybenzo[d]thiazol-2(3H)-ylidene)-2-((4-fluorophenyl)sulfonyl)acetamide
CID 16799560
3-(2-Phenoxyethyl)-1,3-benzothiazol-2-one
CID 644526
1-{[(2Z)-3-methyl-1,3-benzothiazol-2(3H)-ylidene]amino}-3-phenoxypropan-2-ol
CID 657969
(Z)-1-(2-(methylimino)benzo[d]thiazol-3(2H)-yl)-3-phenoxypropan-2-ol
CID 658151
1-[2-(2-Hydroxy-3-phenoxy-propylimino)-benzothiazol-3-yl]-3-phenoxy-propan-2-ol
CID 3108116

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The IUPAC name of N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide (CID 4190709) is N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The canonical SMILES for N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide is COCCn1/c(=N/C(=O)COc2ccccc2)sc2cc(F)ccc21.
What is the InChIKey of N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The InChIKey is UTFZOUZCVLTREW-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-23-10-9-21-15-8-7-13(19)11-16(15)25-18(21)20-17(22)12-24-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3/b20-18-.
What are the key properties of N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide has a molecular weight of 360.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide is sourced from PubChem (CID 4190709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).