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

C10H10N4OS — CID 684406

IUPACN-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1
InChIInChI=1S/C10H10N4OS/c15-9(6-16-10-11-7-12-14-10)13-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15)(H,11,12,14)
InChIKeyVJBDIQRNSVRUDP-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.54
Rot. Bonds4

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

N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 684406) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID684406
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC NameN-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1
InChIInChI=1S/C10H10N4OS/c15-9(6-16-10-11-7-12-14-10)13-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15)(H,11,12,14)
InChIKeyVJBDIQRNSVRUDP-UHFFFAOYSA-N
XLogP1.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 684406) is N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is VJBDIQRNSVRUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c15-9(6-16-10-11-7-12-14-10)13-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15)(H,11,12,14).
What are the key properties of N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 234.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 684406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).