2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C18H17FN2O3S — CID 16912575

IUPAC2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3cc(F)ccc3n2C)c(OC)c1
InChIInChI=1S/C18H17FN2O3S/c1-21-14-7-5-12(19)9-16(14)25-18(21)20-17(22)8-11-4-6-13(23-2)10-15(11)24-3/h4-7,9-10H,8H2,1-3H3/b20-18-
InChIKeyFKMKTLYQBQKTQA-ZZEZOPTASA-N
MW360.41 g/mol
LogP3.07
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 16912575) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID16912575
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3cc(F)ccc3n2C)c(OC)c1
InChIInChI=1S/C18H17FN2O3S/c1-21-14-7-5-12(19)9-16(14)25-18(21)20-17(22)8-11-4-6-13(23-2)10-15(11)24-3/h4-7,9-10H,8H2,1-3H3/b20-18-
InChIKeyFKMKTLYQBQKTQA-ZZEZOPTASA-N
XLogP3.07
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide
CID 16912602
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4564147
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 25408186
N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethoxyphenyl)acetamide
CID 16912623
2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 16912578
2-(2,4-dimethoxyphenyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912733
2-(2,4-dimethoxyphenyl)-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912676
2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41340506
N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethoxyphenyl)acetamide
CID 16912636
ethyl 2-[2-[2-(2,4-dimethoxyphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
CID 16912673
methyl 2-[2-[2-(2,4-dimethoxyphenyl)acetyl]imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 16912721
3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4670224

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 16912575) is 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is COc1ccc(CC(=O)/N=c2\sc3cc(F)ccc3n2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is FKMKTLYQBQKTQA-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-21-14-7-5-12(19)9-16(14)25-18(21)20-17(22)8-11-4-6-13(23-2)10-15(11)24-3/h4-7,9-10H,8H2,1-3H3/b20-18-.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 360.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 16912575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).