N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide

C9H6BrClN4OS — CID 2800275

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C9H6BrClN4OS/c1-4-7(17-15-14-4)9(16)13-6-2-5(10)3-12-8(6)11/h2-3H,1H3,(H,13,16)
InChIKeyGOYMLOSFIMPHFN-UHFFFAOYSA-N
MW333.60 g/mol
LogP2.91
Rot. Bonds2

About N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide

N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 2800275) has the molecular formula C9H6BrClN4OS and a molecular weight of 333.60 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
PubChem CID2800275
Molecular FormulaC9H6BrClN4OS
Molecular Weight333.60 g/mol
Exact Mass331.91
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C9H6BrClN4OS/c1-4-7(17-15-14-4)9(16)13-6-2-5(10)3-12-8(6)11/h2-3H,1H3,(H,13,16)
InChIKeyGOYMLOSFIMPHFN-UHFFFAOYSA-N
XLogP2.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.60
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide (CID 2800275) is N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is GOYMLOSFIMPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4OS/c1-4-7(17-15-14-4)9(16)13-6-2-5(10)3-12-8(6)11/h2-3H,1H3,(H,13,16).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 333.60 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2800275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).