N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide

C8H6ClN5OS — CID 104819926

IUPACN-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C8H6ClN5OS/c1-4-7(16-14-13-4)8(15)12-6-3-10-2-5(9)11-6/h2-3H,1H3,(H,11,12,15)
InChIKeyPXIOPIAAUWHNJM-UHFFFAOYSA-N
MW255.69 g/mol
LogP1.54
Rot. Bonds2

About N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide

N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 104819926) has the molecular formula C8H6ClN5OS and a molecular weight of 255.69 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID104819926
Molecular FormulaC8H6ClN5OS
Molecular Weight255.69 g/mol
Exact Mass255.00
IUPAC NameN-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C8H6ClN5OS/c1-4-7(16-14-13-4)8(15)12-6-3-10-2-5(9)11-6/h2-3H,1H3,(H,11,12,15)
InChIKeyPXIOPIAAUWHNJM-UHFFFAOYSA-N
XLogP1.54
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide (CID 104819926) is N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is PXIOPIAAUWHNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5OS/c1-4-7(16-14-13-4)8(15)12-6-3-10-2-5(9)11-6/h2-3H,1H3,(H,11,12,15).
What are the key properties of N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 255.69 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 104819926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).