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

C10H8ClFN4OS2 — CID 951084

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H8ClFN4OS2/c11-6-3-5(1-2-7(6)12)14-8(17)4-18-10-16-15-9(13)19-10/h1-3H,4H2,(H2,13,15)(H,14,17)
InChIKeyKZZUHZCZCPAULU-UHFFFAOYSA-N
MW318.79 g/mol
LogP2.64
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 951084) has the molecular formula C10H8ClFN4OS2 and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID951084
Molecular FormulaC10H8ClFN4OS2
Molecular Weight318.79 g/mol
Exact Mass317.98
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H8ClFN4OS2/c11-6-3-5(1-2-7(6)12)14-8(17)4-18-10-16-15-9(13)19-10/h1-3H,4H2,(H2,13,15)(H,14,17)
InChIKeyKZZUHZCZCPAULU-UHFFFAOYSA-N
XLogP2.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide (CID 951084) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide is Nc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is KZZUHZCZCPAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4OS2/c11-6-3-5(1-2-7(6)12)14-8(17)4-18-10-16-15-9(13)19-10/h1-3H,4H2,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 318.79 g/mol, XLogP of 2.64, 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-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 951084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).