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

C20H20N4OS2 — CID 70694655

IUPACN-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CCC2)n1
InChIInChI=1S/C20H20N4OS2/c1-14-12-27-20(21-14)24(16-8-5-9-16)19(25)13-26-18-11-10-17(22-23-18)15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3
InChIKeyZAJGNGILMGFMHC-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.59
Rot. Bonds6

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

N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 70694655) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID70694655
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC NameN-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CCC2)n1
InChIInChI=1S/C20H20N4OS2/c1-14-12-27-20(21-14)24(16-8-5-9-16)19(25)13-26-18-11-10-17(22-23-18)15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3
InChIKeyZAJGNGILMGFMHC-UHFFFAOYSA-N
XLogP4.59
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 70694655) is N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is Cc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CCC2)n1.
What is the InChIKey of N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is ZAJGNGILMGFMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-14-12-27-20(21-14)24(16-8-5-9-16)19(25)13-26-18-11-10-17(22-23-18)15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3.
What are the key properties of N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 396.54 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 70694655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).