2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide

C16H11F3N2O2S2 — CID 75380324

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1cc(F)ccc1OC(F)F
InChIInChI=1S/C16H11F3N2O2S2/c17-9-5-6-12(23-15(18)19)11(7-9)20-14(22)8-24-16-21-10-3-1-2-4-13(10)25-16/h1-7,15H,8H2,(H,20,22)
InChIKeyUOQAHOYKGCOENK-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.77
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide (PubChem CID 75380324) has the molecular formula C16H11F3N2O2S2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide
PubChem CID75380324
Molecular FormulaC16H11F3N2O2S2
Molecular Weight384.40 g/mol
Exact Mass384.02
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1cc(F)ccc1OC(F)F
InChIInChI=1S/C16H11F3N2O2S2/c17-9-5-6-12(23-15(18)19)11(7-9)20-14(22)8-24-16-21-10-3-1-2-4-13(10)25-16/h1-7,15H,8H2,(H,20,22)
InChIKeyUOQAHOYKGCOENK-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 4224169
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9077691
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 17386379
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2621082
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 4041341
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 4045804
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 4177656
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-bromo-4-methoxyphenyl)acetamide
CID 3588623
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
1,3-benzothiazol-2-ylmethyl-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-methylazanium
CID 8801927
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 16601030

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide (CID 75380324) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide is O=C(CSc1nc2ccccc2s1)Nc1cc(F)ccc1OC(F)F.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide?
The InChIKey is UOQAHOYKGCOENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S2/c17-9-5-6-12(23-15(18)19)11(7-9)20-14(22)8-24-16-21-10-3-1-2-4-13(10)25-16/h1-7,15H,8H2,(H,20,22).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide has a molecular weight of 384.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)-5-fluorophenyl]acetamide is sourced from PubChem (CID 75380324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).