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

C9H8ClN5OS2 — CID 7760126

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cccnc2Cl)s1
InChIInChI=1S/C9H8ClN5OS2/c10-7-5(2-1-3-12-7)13-6(16)4-17-9-15-14-8(11)18-9/h1-3H,4H2,(H2,11,14)(H,13,16)
InChIKeyMHZDLDYYQDMSPF-UHFFFAOYSA-N
MW301.78 g/mol
LogP1.90
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 7760126) has the molecular formula C9H8ClN5OS2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID7760126
Molecular FormulaC9H8ClN5OS2
Molecular Weight301.78 g/mol
Exact Mass300.99
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cccnc2Cl)s1
InChIInChI=1S/C9H8ClN5OS2/c10-7-5(2-1-3-12-7)13-6(16)4-17-9-15-14-8(11)18-9/h1-3H,4H2,(H2,11,14)(H,13,16)
InChIKeyMHZDLDYYQDMSPF-UHFFFAOYSA-N
XLogP1.90
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide (CID 7760126) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide is Nc1nnc(SCC(=O)Nc2cccnc2Cl)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is MHZDLDYYQDMSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5OS2/c10-7-5(2-1-3-12-7)13-6(16)4-17-9-15-14-8(11)18-9/h1-3H,4H2,(H2,11,14)(H,13,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 301.78 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 7760126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).