2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C13H16N4O3S — CID 108806526

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)Cn2c(C)cc(=O)cc2C)s1
InChIInChI=1S/C13H16N4O3S/c1-8-4-10(18)5-9(2)17(8)6-11(19)14-13-16-15-12(21-13)7-20-3/h4-5H,6-7H2,1-3H3,(H,14,16,19)
InChIKeyQUUOVGWXFNDYBJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.10
Rot. Bonds5

About 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 108806526) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID108806526
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)Cn2c(C)cc(=O)cc2C)s1
InChIInChI=1S/C13H16N4O3S/c1-8-4-10(18)5-9(2)17(8)6-11(19)14-13-16-15-12(21-13)7-20-3/h4-5H,6-7H2,1-3H3,(H,14,16,19)
InChIKeyQUUOVGWXFNDYBJ-UHFFFAOYSA-N
XLogP1.10
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 46970511
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84571511
2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 82210972
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069615
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9192625
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 28527465
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide
CID 91832530
2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91838398
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84561305
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
CID 847079
2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108806511

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 108806526) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)Cn2c(C)cc(=O)cc2C)s1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QUUOVGWXFNDYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-4-10(18)5-9(2)17(8)6-11(19)14-13-16-15-12(21-13)7-20-3/h4-5H,6-7H2,1-3H3,(H,14,16,19).
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 108806526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).