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

C13H10N4O3S — CID 18891531

IUPAC4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc3scnn3c2=O)cc1
InChIInChI=1S/C13H10N4O3S/c1-20-9-4-2-8(3-5-9)11(18)16-10-6-14-13-17(12(10)19)15-7-21-13/h2-7H,1H3,(H,16,18)
InChIKeyPLHSGLTYRKZATL-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.41
Rot. Bonds3

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

4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 18891531) has the molecular formula C13H10N4O3S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID18891531
Molecular FormulaC13H10N4O3S
Molecular Weight302.31 g/mol
Exact Mass302.05
IUPAC Name4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc3scnn3c2=O)cc1
InChIInChI=1S/C13H10N4O3S/c1-20-9-4-2-8(3-5-9)11(18)16-10-6-14-13-17(12(10)19)15-7-21-13/h2-7H,1H3,(H,16,18)
InChIKeyPLHSGLTYRKZATL-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

3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 44783251
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 18891571
4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
CID 122303930
N-[5-[(4-methoxybenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449430
N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide
CID 127050210
N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110860636
N-imidazo[1,2-a]pyridin-8-yl-4-methoxybenzamide
CID 110735065
4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
CID 87521287
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
ethyl 5-benzamido-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-2-carboxylate
CID 102333626

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 18891531) is 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is COc1ccc(C(=O)Nc2cnc3scnn3c2=O)cc1.
What is the InChIKey of 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is PLHSGLTYRKZATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c1-20-9-4-2-8(3-5-9)11(18)16-10-6-14-13-17(12(10)19)15-7-21-13/h2-7H,1H3,(H,16,18).
What are the key properties of 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-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 4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 18891531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).