2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide

C14H14F2N2OS2 — CID 47065500

IUPAC2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(SC(C)c2cc(F)ccc2F)sc1CC(N)=O
InChIInChI=1S/C14H14F2N2OS2/c1-7-12(6-13(17)19)21-14(18-7)20-8(2)10-5-9(15)3-4-11(10)16/h3-5,8H,6H2,1-2H3,(H2,17,19)
InChIKeyFFTONDXLVQLIDZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 47065500) has the molecular formula C14H14F2N2OS2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID47065500
Molecular FormulaC14H14F2N2OS2
Molecular Weight328.41 g/mol
Exact Mass328.05
IUPAC Name2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(SC(C)c2cc(F)ccc2F)sc1CC(N)=O
InChIInChI=1S/C14H14F2N2OS2/c1-7-12(6-13(17)19)21-14(18-7)20-8(2)10-5-9(15)3-4-11(10)16/h3-5,8H,6H2,1-2H3,(H2,17,19)
InChIKeyFFTONDXLVQLIDZ-UHFFFAOYSA-N
XLogP3.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 47068561
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683590
2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
CID 94801455
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide
CID 46683524
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 46683509
(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 51928928
2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 52531669
2-[2-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 105369882
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-[2-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46527887
2-(2,5-difluorophenyl)propanamide
CID 141213802
2-[2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 29293504

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide (CID 47065500) is 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(SC(C)c2cc(F)ccc2F)sc1CC(N)=O.
What is the InChIKey of 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is FFTONDXLVQLIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS2/c1-7-12(6-13(17)19)21-14(18-7)20-8(2)10-5-9(15)3-4-11(10)16/h3-5,8H,6H2,1-2H3,(H2,17,19).
What are the key properties of 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 47065500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).