N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide

C14H17N5O2S2 — CID 53370501

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2nc(N3CCSCC3)ccc2=O)n1
InChIInChI=1S/C14H17N5O2S2/c1-10-9-23-14(15-10)16-12(20)8-19-13(21)3-2-11(17-19)18-4-6-22-7-5-18/h2-3,9H,4-8H2,1H3,(H,15,16,20)
InChIKeyGAWSDBJBNVSSDF-UHFFFAOYSA-N
MW351.46 g/mol
LogP1.20
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide (PubChem CID 53370501) has the molecular formula C14H17N5O2S2 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
PubChem CID53370501
Molecular FormulaC14H17N5O2S2
Molecular Weight351.46 g/mol
Exact Mass351.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2nc(N3CCSCC3)ccc2=O)n1
InChIInChI=1S/C14H17N5O2S2/c1-10-9-23-14(15-10)16-12(20)8-19-13(21)3-2-11(17-19)18-4-6-22-7-5-18/h2-3,9H,4-8H2,1H3,(H,15,16,20)
InChIKeyGAWSDBJBNVSSDF-UHFFFAOYSA-N
XLogP1.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide (CID 53370501) is N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide is Cc1csc(NC(=O)Cn2nc(N3CCSCC3)ccc2=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The InChIKey is GAWSDBJBNVSSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S2/c1-10-9-23-14(15-10)16-12(20)8-19-13(21)3-2-11(17-19)18-4-6-22-7-5-18/h2-3,9H,4-8H2,1H3,(H,15,16,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide has a molecular weight of 351.46 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 53370501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).