2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide

C13H10N4O3S — CID 18891536

IUPAC2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cnc2scnn2c1=O
InChIInChI=1S/C13H10N4O3S/c1-20-10-5-3-2-4-8(10)11(18)16-9-6-14-13-17(12(9)19)15-7-21-13/h2-7H,1H3,(H,16,18)
InChIKeyARGFATOSXUWOMN-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.41
Rot. Bonds3

About 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide

2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 18891536) has the molecular formula C13H10N4O3S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID18891536
Molecular FormulaC13H10N4O3S
Molecular Weight302.31 g/mol
Exact Mass302.05
IUPAC Name2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cnc2scnn2c1=O
InChIInChI=1S/C13H10N4O3S/c1-20-10-5-3-2-4-8(10)11(18)16-9-6-14-13-17(12(9)19)15-7-21-13/h2-7H,1H3,(H,16,18)
InChIKeyARGFATOSXUWOMN-UHFFFAOYSA-N
XLogP1.41
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 18891531
2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891605
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664738
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
N-[5-[(2-methoxybenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449384
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 155951835
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 18891536) is 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is COc1ccccc1C(=O)Nc1cnc2scnn2c1=O.
What is the InChIKey of 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is ARGFATOSXUWOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c1-20-10-5-3-2-4-8(10)11(18)16-9-6-14-13-17(12(9)19)15-7-21-13/h2-7H,1H3,(H,16,18).
What are the key properties of 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 302.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 18891536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).