2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

C11H12N4O3S — CID 51075852

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CNC(=O)Cn2[nH]c(=O)ccc2=O)n1
InChIInChI=1S/C11H12N4O3S/c1-7-6-19-10(13-7)4-12-9(17)5-15-11(18)3-2-8(16)14-15/h2-3,6H,4-5H2,1H3,(H,12,17)(H,14,16)
InChIKeyPHGLGZCRKKLIKC-UHFFFAOYSA-N
MW280.31 g/mol
LogP-0.38
Rot. Bonds4

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 51075852) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID51075852
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CNC(=O)Cn2[nH]c(=O)ccc2=O)n1
InChIInChI=1S/C11H12N4O3S/c1-7-6-19-10(13-7)4-12-9(17)5-15-11(18)3-2-8(16)14-15/h2-3,6H,4-5H2,1H3,(H,12,17)(H,14,16)
InChIKeyPHGLGZCRKKLIKC-UHFFFAOYSA-N
XLogP-0.38
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47143924
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 47018997
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 29278184
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 62838697
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51929516
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 51075852) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1csc(CNC(=O)Cn2[nH]c(=O)ccc2=O)n1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is PHGLGZCRKKLIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-6-19-10(13-7)4-12-9(17)5-15-11(18)3-2-8(16)14-15/h2-3,6H,4-5H2,1H3,(H,12,17)(H,14,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 280.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 51075852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).