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

C10H9ClN4OS2 — CID 839075

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C10H9ClN4OS2/c11-6-2-1-3-7(4-6)13-8(16)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)(H,13,16)
InChIKeyVWDFAORHHMNAKR-UHFFFAOYSA-N
MW300.80 g/mol
LogP2.50
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide (PubChem CID 839075) has the molecular formula C10H9ClN4OS2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
PubChem CID839075
Molecular FormulaC10H9ClN4OS2
Molecular Weight300.80 g/mol
Exact Mass299.99
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C10H9ClN4OS2/c11-6-2-1-3-7(4-6)13-8(16)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)(H,13,16)
InChIKeyVWDFAORHHMNAKR-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.50
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-chlorophenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide (CID 839075) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide is Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
The InChIKey is VWDFAORHHMNAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS2/c11-6-2-1-3-7(4-6)13-8(16)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)(H,13,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide has a molecular weight of 300.80 g/mol, XLogP of 2.50, 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-chlorophenyl)acetamide is sourced from PubChem (CID 839075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).