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

C10H9ClN4OS — CID 6487616

IUPACN-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C10H9ClN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15)
InChIKeyCPGBBWWEYXTRSC-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.19
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 6487616) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID6487616
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC NameN-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C10H9ClN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15)
InChIKeyCPGBBWWEYXTRSC-UHFFFAOYSA-N
XLogP2.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 6487616) is N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is CPGBBWWEYXTRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15).
What are the key properties of N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 268.73 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 6487616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).