N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

C21H18F2N2O2S3 — CID 39037318

IUPACN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)Nc1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C21H18F2N2O2S3/c22-15-3-1-4-16(23)19(15)17-12-30-21(24-17)25-18(26)11-27-14-7-5-13(6-8-14)20-28-9-2-10-29-20/h1,3-8,12,20H,2,9-11H2,(H,24,25,26)
InChIKeyJSRUHFOEBAGLRJ-UHFFFAOYSA-N
MW464.58 g/mol
LogP5.97
Rot. Bonds6

About N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (PubChem CID 39037318) has the molecular formula C21H18F2N2O2S3 and a molecular weight of 464.58 g/mol. Its IUPAC name is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
PubChem CID39037318
Molecular FormulaC21H18F2N2O2S3
Molecular Weight464.58 g/mol
Exact Mass464.05
IUPAC NameN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)Nc1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C21H18F2N2O2S3/c22-15-3-1-4-16(23)19(15)17-12-30-21(24-17)25-18(26)11-27-14-7-5-13(6-8-14)20-28-9-2-10-29-20/h1,3-8,12,20H,2,9-11H2,(H,24,25,26)
InChIKeyJSRUHFOEBAGLRJ-UHFFFAOYSA-N
XLogP5.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 51600054
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 51600039
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 35847930
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55436153
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 71938593
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide
CID 34752593

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (CID 39037318) is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is O=C(COc1ccc(C2SCCCS2)cc1)Nc1nc(-c2c(F)cccc2F)cs1.
What is the InChIKey of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The InChIKey is JSRUHFOEBAGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2S3/c22-15-3-1-4-16(23)19(15)17-12-30-21(24-17)25-18(26)11-27-14-7-5-13(6-8-14)20-28-9-2-10-29-20/h1,3-8,12,20H,2,9-11H2,(H,24,25,26).
What are the key properties of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide has a molecular weight of 464.58 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is sourced from PubChem (CID 39037318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).