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

C21H22N4OS2 — CID 70696692

IUPACN-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CCCC2)n1
InChIInChI=1S/C21H22N4OS2/c1-15-13-28-21(22-15)25(17-9-5-6-10-17)20(26)14-27-19-12-11-18(23-24-19)16-7-3-2-4-8-16/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3
InChIKeyAKBWHAQEYOVDOB-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.98
Rot. Bonds6

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

N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 70696692) has the molecular formula C21H22N4OS2 and a molecular weight of 410.57 g/mol. Its IUPAC name is N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID70696692
Molecular FormulaC21H22N4OS2
Molecular Weight410.57 g/mol
Exact Mass410.12
IUPAC NameN-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CCCC2)n1
InChIInChI=1S/C21H22N4OS2/c1-15-13-28-21(22-15)25(17-9-5-6-10-17)20(26)14-27-19-12-11-18(23-24-19)16-7-3-2-4-8-16/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3
InChIKeyAKBWHAQEYOVDOB-UHFFFAOYSA-N
XLogP4.98
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide 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-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 70696692) is N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is Cc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is AKBWHAQEYOVDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS2/c1-15-13-28-21(22-15)25(17-9-5-6-10-17)20(26)14-27-19-12-11-18(23-24-19)16-7-3-2-4-8-16/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3.
What are the key properties of N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 410.57 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 70696692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).