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

C10H9Cl2N5OS — CID 4596904

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1
InChIInChI=1S/C10H9Cl2N5OS/c11-5-1-2-6(12)7(3-5)14-8(18)4-19-10-15-9(13)16-17-10/h1-3H,4H2,(H,14,18)(H3,13,15,16,17)
InChIKeyIEXGMLFSCFJJJC-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.42
Rot. Bonds4

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 4596904) has the molecular formula C10H9Cl2N5OS and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID4596904
Molecular FormulaC10H9Cl2N5OS
Molecular Weight318.19 g/mol
Exact Mass316.99
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1
InChIInChI=1S/C10H9Cl2N5OS/c11-5-1-2-6(12)7(3-5)14-8(18)4-19-10-15-9(13)16-17-10/h1-3H,4H2,(H,14,18)(H3,13,15,16,17)
InChIKeyIEXGMLFSCFJJJC-UHFFFAOYSA-N
XLogP2.42
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
CID 2167462
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2364876
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
CID 2455927
N-(3-chlorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 895833
N-(3,4-dichlorophenyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 712247
N-(2-chlorophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 974949
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
CID 2586610
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4077853
N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 864606
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 852258
2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-N-(4-chlorophenyl)acetamide
CID 2380757
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 2662031

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide (CID 4596904) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide is Nc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is IEXGMLFSCFJJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5OS/c11-5-1-2-6(12)7(3-5)14-8(18)4-19-10-15-9(13)16-17-10/h1-3H,4H2,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 318.19 g/mol, XLogP of 2.42, 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-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 4596904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).