N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C11H13N5O2S — CID 122565573

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 122565573) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 122565573
• Molecular Formula: C11H13N5O2S
• Molecular Weight: 279.32 g/mol
• Exact Mass: 279.08
• IUPAC Name: N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(C(=O)NCc2nnc(N)s2)c(=O)[nH]1
• InChI: InChI=1S/C11H13N5O2S/c1-5-3-6(2)14-10(18)8(5)9(17)13-4-7-15-16-11(12)19-7/h3H,4H2,1-2H3,(H2,12,16)(H,13,17)(H,14,18)
• InChIKey: MPMIYOZPWWHGEF-UHFFFAOYSA-N
• XLogP: 0.36
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.32
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 122565573) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCc2nnc(N)s2)c(=O)[nH]1.

What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is MPMIYOZPWWHGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-5-3-6(2)14-10(18)8(5)9(17)13-4-7-15-16-11(12)19-7/h3H,4H2,1-2H3,(H2,12,16)(H,13,17)(H,14,18).

What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 122565573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).