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

C17H13F2N3OS2 — CID 51206176

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H13F2N3OS2/c18-17(19)25-14-6-2-1-5-13(14)22-15(23)8-12-10-24-16(21-12)11-4-3-7-20-9-11/h1-7,9-10,17H,8H2,(H,22,23)
InChIKeyBRWIGVOOSZEJJQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.70
Rot. Bonds6

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

N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 51206176) has the molecular formula C17H13F2N3OS2 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID51206176
Molecular FormulaC17H13F2N3OS2
Molecular Weight377.44 g/mol
Exact Mass377.05
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H13F2N3OS2/c18-17(19)25-14-6-2-1-5-13(14)22-15(23)8-12-10-24-16(21-12)11-4-3-7-20-9-11/h1-7,9-10,17H,8H2,(H,22,23)
InChIKeyBRWIGVOOSZEJJQ-UHFFFAOYSA-N
XLogP4.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46586964
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55912707
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55389027
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 51206176) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccnc2)n1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BRWIGVOOSZEJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS2/c18-17(19)25-14-6-2-1-5-13(14)22-15(23)8-12-10-24-16(21-12)11-4-3-7-20-9-11/h1-7,9-10,17H,8H2,(H,22,23).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 51206176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).