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

C19H16F2N2O2S2 — CID 9123022

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCc1csc(-c2ccc(OCC(=O)Nc3ccc(SC(F)F)cc3)cc2)n1
InChIInChI=1S/C19H16F2N2O2S2/c1-12-11-26-18(22-12)13-2-6-15(7-3-13)25-10-17(24)23-14-4-8-16(9-5-14)27-19(20)21/h2-9,11,19H,10H2,1H3,(H,23,24)
InChIKeyZBIHEFJPSOCMRO-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.45
Rot. Bonds7

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

N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (PubChem CID 9123022) has the molecular formula C19H16F2N2O2S2 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
PubChem CID9123022
Molecular FormulaC19H16F2N2O2S2
Molecular Weight406.48 g/mol
Exact Mass406.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCc1csc(-c2ccc(OCC(=O)Nc3ccc(SC(F)F)cc3)cc2)n1
InChIInChI=1S/C19H16F2N2O2S2/c1-12-11-26-18(22-12)13-2-6-15(7-3-13)25-10-17(24)23-14-4-8-16(9-5-14)27-19(20)21/h2-9,11,19H,10H2,1H3,(H,23,24)
InChIKeyZBIHEFJPSOCMRO-UHFFFAOYSA-N
XLogP5.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 26499511
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 32940874
N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123769
ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123178
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123727

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (CID 9123022) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is Cc1csc(-c2ccc(OCC(=O)Nc3ccc(SC(F)F)cc3)cc2)n1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The InChIKey is ZBIHEFJPSOCMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S2/c1-12-11-26-18(22-12)13-2-6-15(7-3-13)25-10-17(24)23-14-4-8-16(9-5-14)27-19(20)21/h2-9,11,19H,10H2,1H3,(H,23,24).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide has a molecular weight of 406.48 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 9123022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).