2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide

C13H16N4O3S — CID 56738252

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide
SMILESCc1nc(CC(=O)NCCn2[nH]c(=O)ccc2=O)c(C)s1
InChIInChI=1S/C13H16N4O3S/c1-8-10(15-9(2)21-8)7-12(19)14-5-6-17-13(20)4-3-11(18)16-17/h3-4H,5-7H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyWYSHXWRLUVCBRU-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.03
Rot. Bonds5

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide (PubChem CID 56738252) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide
PubChem CID56738252
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide
SMILESCc1nc(CC(=O)NCCn2[nH]c(=O)ccc2=O)c(C)s1
InChIInChI=1S/C13H16N4O3S/c1-8-10(15-9(2)21-8)7-12(19)14-5-6-17-13(20)4-3-11(18)16-17/h3-4H,5-7H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyWYSHXWRLUVCBRU-UHFFFAOYSA-N
XLogP-0.03
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide (CID 56738252) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide is Cc1nc(CC(=O)NCCn2[nH]c(=O)ccc2=O)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide?
The InChIKey is WYSHXWRLUVCBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-10(15-9(2)21-8)7-12(19)14-5-6-17-13(20)4-3-11(18)16-17/h3-4H,5-7H2,1-2H3,(H,14,19)(H,16,18).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide has a molecular weight of 308.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetamide is sourced from PubChem (CID 56738252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).