N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C17H13F2N3O3S2 — CID 55388333

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H13F2N3O3S2/c18-17(19)27(24,25)14-7-2-1-5-12(14)22-15(23)9-11-10-26-16(21-11)13-6-3-4-8-20-13/h1-8,10,17H,9H2,(H,22,23)
InChIKeyPQBUEZZFHCJRGR-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55388333) has the molecular formula C17H13F2N3O3S2 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55388333
Molecular FormulaC17H13F2N3O3S2
Molecular Weight409.44 g/mol
Exact Mass409.04
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H13F2N3O3S2/c18-17(19)27(24,25)14-7-2-1-5-12(14)22-15(23)9-11-10-26-16(21-11)13-6-3-4-8-20-13/h1-8,10,17H,9H2,(H,22,23)
InChIKeyPQBUEZZFHCJRGR-UHFFFAOYSA-N
XLogP3.38
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55542121
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572212
N-(2-benzylsulfanylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563548
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39820857
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563450
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27768196
N-(2-imidazol-1-ylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 47025486
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 38749299
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 16605145

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 55388333) is N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PQBUEZZFHCJRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S2/c18-17(19)27(24,25)14-7-2-1-5-12(14)22-15(23)9-11-10-26-16(21-11)13-6-3-4-8-20-13/h1-8,10,17H,9H2,(H,22,23).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 409.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55388333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).