N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C16H16N4O2S2 — CID 70704655

IUPACN-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N(C)Cc2csc(-c3cccs3)n2)n1
InChIInChI=1S/C16H16N4O2S2/c1-11-5-6-14(21)20(18-11)9-15(22)19(2)8-12-10-24-16(17-12)13-4-3-7-23-13/h3-7,10H,8-9H2,1-2H3
InChIKeyACMSMJFDMWCVQZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide

N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 70704655) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID70704655
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N(C)Cc2csc(-c3cccs3)n2)n1
InChIInChI=1S/C16H16N4O2S2/c1-11-5-6-14(21)20(18-11)9-15(22)19(2)8-12-10-24-16(17-12)13-4-3-7-23-13/h3-7,10H,8-9H2,1-2H3
InChIKeyACMSMJFDMWCVQZ-UHFFFAOYSA-N
XLogP2.40
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 70704655) is N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is Cc1ccc(=O)n(CC(=O)N(C)Cc2csc(-c3cccs3)n2)n1.
What is the InChIKey of N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is ACMSMJFDMWCVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-11-5-6-14(21)20(18-11)9-15(22)19(2)8-12-10-24-16(17-12)13-4-3-7-23-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 70704655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).