N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H8Br2N4OS — CID 5074820

IUPACN-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H8Br2N4OS/c11-6-1-2-8(7(12)3-6)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4H2,(H,15,17)(H,13,14,16)
InChIKeyHTALSKNIUDJXRH-UHFFFAOYSA-N
MW392.08 g/mol
LogP3.06
Rot. Bonds4

About N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 5074820) has the molecular formula C10H8Br2N4OS and a molecular weight of 392.08 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID5074820
Molecular FormulaC10H8Br2N4OS
Molecular Weight392.08 g/mol
Exact Mass389.88
IUPAC NameN-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H8Br2N4OS/c11-6-1-2-8(7(12)3-6)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4H2,(H,15,17)(H,13,14,16)
InChIKeyHTALSKNIUDJXRH-UHFFFAOYSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.08
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 5074820) is N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is HTALSKNIUDJXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N4OS/c11-6-1-2-8(7(12)3-6)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4H2,(H,15,17)(H,13,14,16).
What are the key properties of N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 392.08 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 5074820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).