N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

C17H16N4OS2 — CID 25067404

IUPACN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyPOKKSIROKFEGGD-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.66
Rot. Bonds5

About N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 25067404) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID25067404
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyPOKKSIROKFEGGD-UHFFFAOYSA-N
XLogP3.66
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 25067404) is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is Cc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)nn2)n1.
What is the InChIKey of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is POKKSIROKFEGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 356.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 25067404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).