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

C14H12N4O3S — CID 5135907

IUPAC4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1
InChIInChI=1S/C14H12N4O3S/c1-8-17-18-13(20)11(7-15-14(18)22-8)16-12(19)9-3-5-10(21-2)6-4-9/h3-7H,1-2H3,(H,16,19)
InChIKeyYIZRBMCJIWWOJS-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.72
Rot. Bonds3

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

4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 5135907) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID5135907
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1
InChIInChI=1S/C14H12N4O3S/c1-8-17-18-13(20)11(7-15-14(18)22-8)16-12(19)9-3-5-10(21-2)6-4-9/h3-7H,1-2H3,(H,16,19)
InChIKeyYIZRBMCJIWWOJS-UHFFFAOYSA-N
XLogP1.72
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 821601
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
N-(4-amino-6-oxo-1,6-dihydro-5-pyrimidinyl)-4-methoxybenzamide
CID 135468800
N-(4-amino-2-((2-methoxyethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-methoxybenzamide
CID 135541108
2-[[4-amino-5-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoic acid
CID 135541131
N-(4-amino-6-oxo-2-((2-oxo-2-phenylethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-methoxybenzamide
CID 135700807
N-(4-amino-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-4-methoxybenzamide
CID 135900542
N-[(4,5-Dihydro-thiazol-2-ylcarbamoyl)-methyl]-4-methoxy-benzamide
CID 891782
N-[(4-Methoxyphenyl)methyl]-2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]acetamide
CID 16012156
{2-Cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl 2-[(4-methoxyphenyl)formamido]acetate
CID 16026802
N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide
CID 16933560
7-[[4-(4-Methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42890470

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 5135907) is 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is COc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1.
What is the InChIKey of 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is YIZRBMCJIWWOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-8-17-18-13(20)11(7-15-14(18)22-8)16-12(19)9-3-5-10(21-2)6-4-9/h3-7H,1-2H3,(H,16,19).
What are the key properties of 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 316.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 5135907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).