[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate

C15H10ClF2N3O3S2 — CID 16592640

IUPAC[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESO=C(COC(=O)c1c(Cl)nc2sccn12)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H10ClF2N3O3S2/c16-12-11(21-5-6-25-15(21)20-12)13(23)24-7-10(22)19-8-3-1-2-4-9(8)26-14(17)18/h1-6,14H,7H2,(H,19,22)
InChIKeyVAJJFDYBUYFKDJ-UHFFFAOYSA-N
MW417.85 g/mol
LogP4.16
Rot. Bonds6

About [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate

[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 16592640) has the molecular formula C15H10ClF2N3O3S2 and a molecular weight of 417.85 g/mol. Its IUPAC name is [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID16592640
Molecular FormulaC15H10ClF2N3O3S2
Molecular Weight417.85 g/mol
Exact Mass416.98
IUPAC Name[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESO=C(COC(=O)c1c(Cl)nc2sccn12)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H10ClF2N3O3S2/c16-12-11(21-5-6-25-15(21)20-12)13(23)24-7-10(22)19-8-3-1-2-4-9(8)26-14(17)18/h1-6,14H,7H2,(H,19,22)
InChIKeyVAJJFDYBUYFKDJ-UHFFFAOYSA-N
XLogP4.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 16591433
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 29434502
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 16595342
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 16601030
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42402230
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 16591431
2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 62102362
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605125
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
CID 112766444
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
CID 31523997
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 16592640) is [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate is O=C(COC(=O)c1c(Cl)nc2sccn12)Nc1ccccc1SC(F)F.
What is the InChIKey of [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is VAJJFDYBUYFKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O3S2/c16-12-11(21-5-6-25-15(21)20-12)13(23)24-7-10(22)19-8-3-1-2-4-9(8)26-14(17)18/h1-6,14H,7H2,(H,19,22).
What are the key properties of [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 417.85 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 16592640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).