N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H7BrF2N4OS — CID 2411392

IUPACN-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H7BrF2N4OS/c11-6-1-5(12)2-7(13)9(6)16-8(18)3-19-10-14-4-15-17-10/h1-2,4H,3H2,(H,16,18)(H,14,15,17)
InChIKeyLYZNEDRZMPTZEE-UHFFFAOYSA-N
MW349.16 g/mol
LogP2.58
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2411392) has the molecular formula C10H7BrF2N4OS and a molecular weight of 349.16 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2411392
Molecular FormulaC10H7BrF2N4OS
Molecular Weight349.16 g/mol
Exact Mass347.95
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H7BrF2N4OS/c11-6-1-5(12)2-7(13)9(6)16-8(18)3-19-10-14-4-15-17-10/h1-2,4H,3H2,(H,16,18)(H,14,15,17)
InChIKeyLYZNEDRZMPTZEE-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343370
N-(2,6-dibromo-4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 4520219
CID 15945326
CID 15945326
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dibromophenyl)acetamide
CID 4143032
N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 5074820
N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684406
N-(4-Bromophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593620
N-(2-bromo-4,6-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2482456
2-[(3-amino-1H-1,2,4-triazol-5-yl)thio]-N-(4-bromo-2-fluorophenyl)acetamide
CID 1265137
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2380749
N-(4-bromophenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 598836
2-(4H-1,2,4-triazol-3-ylthio)-N-(2-fluorophenyl)acetamide
CID 712244

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2411392) is N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is LYZNEDRZMPTZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N4OS/c11-6-1-5(12)2-7(13)9(6)16-8(18)3-19-10-14-4-15-17-10/h1-2,4H,3H2,(H,16,18)(H,14,15,17).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 349.16 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2411392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).