N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C16H11Br2FN4OS2 — CID 23911354

IUPACN-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C16H11Br2FN4OS2/c17-9-5-6-12(10(18)7-9)20-14(24)8-25-16-23-22-15(26-16)21-13-4-2-1-3-11(13)19/h1-7H,8H2,(H,20,24)(H,21,22)
InChIKeyYTKOLXRHPXYQQR-UHFFFAOYSA-N
MW518.23 g/mol
LogP5.68
Rot. Bonds6

About N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 23911354) has the molecular formula C16H11Br2FN4OS2 and a molecular weight of 518.23 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID23911354
Molecular FormulaC16H11Br2FN4OS2
Molecular Weight518.23 g/mol
Exact Mass515.87
IUPAC NameN-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C16H11Br2FN4OS2/c17-9-5-6-12(10(18)7-9)20-14(24)8-25-16-23-22-15(26-16)21-13-4-2-1-3-11(13)19/h1-7H,8H2,(H,20,24)(H,21,22)
InChIKeyYTKOLXRHPXYQQR-UHFFFAOYSA-N
XLogP5.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.23
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 3964511
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 3527865
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4591043
N-(5-chloro-2-methylphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16532438
N-carbamoyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5223377
2-[[5-(2,4-dibromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61474271
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 38916745
N-(2-butan-2-ylphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23728028
N-(5-chloro-2-pyridinyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5141779
N-[2,6-di(propan-2-yl)phenyl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16532400
N-[4-(diethylamino)phenyl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3888301
methyl 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2083644

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 23911354) is N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YTKOLXRHPXYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2FN4OS2/c17-9-5-6-12(10(18)7-9)20-14(24)8-25-16-23-22-15(26-16)21-13-4-2-1-3-11(13)19/h1-7H,8H2,(H,20,24)(H,21,22).
What are the key properties of N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 518.23 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 23911354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).