N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C17H14N6O3S — CID 134699936

IUPACN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nn2c(NC(=O)CCn3cnc4ccccc4c3=O)csc2nc1=O
InChIInChI=1S/C17H14N6O3S/c1-10-15(25)20-17-23(21-10)13(8-27-17)19-14(24)6-7-22-9-18-12-5-3-2-4-11(12)16(22)26/h2-5,8-9H,6-7H2,1H3,(H,19,24)
InChIKeyKEIIEWGZLDONHT-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.20
Rot. Bonds4

About N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 134699936) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID134699936
Molecular FormulaC17H14N6O3S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC NameN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nn2c(NC(=O)CCn3cnc4ccccc4c3=O)csc2nc1=O
InChIInChI=1S/C17H14N6O3S/c1-10-15(25)20-17-23(21-10)13(8-27-17)19-14(24)6-7-22-9-18-12-5-3-2-4-11(12)16(22)26/h2-5,8-9H,6-7H2,1H3,(H,19,24)
InChIKeyKEIIEWGZLDONHT-UHFFFAOYSA-N
XLogP1.20
TPSA111.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 122356666
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CID 155916269
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916047
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 71795774
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 34391804
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 134699936) is N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1nn2c(NC(=O)CCn3cnc4ccccc4c3=O)csc2nc1=O.
What is the InChIKey of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is KEIIEWGZLDONHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3S/c1-10-15(25)20-17-23(21-10)13(8-27-17)19-14(24)6-7-22-9-18-12-5-3-2-4-11(12)16(22)26/h2-5,8-9H,6-7H2,1H3,(H,19,24).
What are the key properties of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 382.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 134699936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).