6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C9H8N4OS — CID 175809995

IUPAC6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(-c2nncs2)n1
InChIInChI=1S/C9H8N4OS/c1-5-2-3-6(8(10)14)7(12-5)9-13-11-4-15-9/h2-4H,1H3,(H2,10,14)
InChIKeyXPDKVPJDXWBPAA-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.01
Rot. Bonds2

About 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 175809995) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID175809995
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(-c2nncs2)n1
InChIInChI=1S/C9H8N4OS/c1-5-2-3-6(8(10)14)7(12-5)9-13-11-4-15-9/h2-4H,1H3,(H2,10,14)
InChIKeyXPDKVPJDXWBPAA-UHFFFAOYSA-N
XLogP1.01
TPSA81.76 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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 175809995) is 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is Cc1ccc(C(N)=O)c(-c2nncs2)n1.
What is the InChIKey of 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is XPDKVPJDXWBPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c1-5-2-3-6(8(10)14)7(12-5)9-13-11-4-15-9/h2-4H,1H3,(H2,10,14).
What are the key properties of 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175809995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).