2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide

C10H10ClN5OS — CID 2380757

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H10ClN5OS/c11-6-1-3-7(4-2-6)13-8(17)5-18-10-14-9(12)15-16-10/h1-4H,5H2,(H,13,17)(H3,12,14,15,16)
InChIKeyJLDGLXVIVJDWIP-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.77
Rot. Bonds4

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide (PubChem CID 2380757) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
PubChem CID2380757
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H10ClN5OS/c11-6-1-3-7(4-2-6)13-8(17)5-18-10-14-9(12)15-16-10/h1-4H,5H2,(H,13,17)(H3,12,14,15,16)
InChIKeyJLDGLXVIVJDWIP-UHFFFAOYSA-N
XLogP1.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide (CID 2380757) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide is Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide?
The InChIKey is JLDGLXVIVJDWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c11-6-1-3-7(4-2-6)13-8(17)5-18-10-14-9(12)15-16-10/h1-4H,5H2,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide has a molecular weight of 283.74 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2380757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).