4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide

C9H8N4OS — CID 2804293

IUPAC4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccnc1
InChIInChI=1S/C9H8N4OS/c1-6-8(15-13-12-6)9(14)11-7-3-2-4-10-5-7/h2-5H,1H3,(H,11,14)
InChIKeySYZIAWFMRQIJGE-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.49
Rot. Bonds2

About 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide

4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide (PubChem CID 2804293) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide
PubChem CID2804293
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccnc1
InChIInChI=1S/C9H8N4OS/c1-6-8(15-13-12-6)9(14)11-7-3-2-4-10-5-7/h2-5H,1H3,(H,11,14)
InChIKeySYZIAWFMRQIJGE-UHFFFAOYSA-N
XLogP1.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide (CID 2804293) is 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccnc1.
What is the InChIKey of 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide?
The InChIKey is SYZIAWFMRQIJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c1-6-8(15-13-12-6)9(14)11-7-3-2-4-10-5-7/h2-5H,1H3,(H,11,14).
What are the key properties of 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide?
4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyridin-3-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 2804293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).