2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide

C10H7Cl3N4OS2 — CID 4251909

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1
InChIInChI=1S/C10H7Cl3N4OS2/c11-4-1-6(13)7(2-5(4)12)15-8(18)3-19-10-17-16-9(14)20-10/h1-2H,3H2,(H2,14,16)(H,15,18)
InChIKeyXVXSVXMPTJACHX-UHFFFAOYSA-N
MW369.69 g/mol
LogP3.81
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 4251909) has the molecular formula C10H7Cl3N4OS2 and a molecular weight of 369.69 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID4251909
Molecular FormulaC10H7Cl3N4OS2
Molecular Weight369.69 g/mol
Exact Mass367.91
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1
InChIInChI=1S/C10H7Cl3N4OS2/c11-4-1-6(13)7(2-5(4)12)15-8(18)3-19-10-17-16-9(14)20-10/h1-2H,3H2,(H2,14,16)(H,15,18)
InChIKeyXVXSVXMPTJACHX-UHFFFAOYSA-N
XLogP3.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (CID 4251909) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is Nc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is XVXSVXMPTJACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4OS2/c11-4-1-6(13)7(2-5(4)12)15-8(18)3-19-10-17-16-9(14)20-10/h1-2H,3H2,(H2,14,16)(H,15,18).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 369.69 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 4251909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).