4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide

C13H15N5O2S2 — CID 42173132

IUPAC4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(=O)Nc1ccc(SCCCC(=O)Nc2nccs2)nn1
InChIInChI=1S/C13H15N5O2S2/c1-9(19)15-10-4-5-12(18-17-10)21-7-2-3-11(20)16-13-14-6-8-22-13/h4-6,8H,2-3,7H2,1H3,(H,14,16,20)(H,15,17,19)
InChIKeyPEWZFSBQMGPJFU-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.40
Rot. Bonds7

About 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide

4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 42173132) has the molecular formula C13H15N5O2S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID42173132
Molecular FormulaC13H15N5O2S2
Molecular Weight337.43 g/mol
Exact Mass337.07
IUPAC Name4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(=O)Nc1ccc(SCCCC(=O)Nc2nccs2)nn1
InChIInChI=1S/C13H15N5O2S2/c1-9(19)15-10-4-5-12(18-17-10)21-7-2-3-11(20)16-13-14-6-8-22-13/h4-6,8H,2-3,7H2,1H3,(H,14,16,20)(H,15,17,19)
InChIKeyPEWZFSBQMGPJFU-UHFFFAOYSA-N
XLogP2.40
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 39766697
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
3-benzylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 6498108
N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42173480
N-[4-(2-bromophenyl)sulfanylbutyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86958636
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935

Frequently Asked Questions

What is the IUPAC name of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide (CID 42173132) is 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide is CC(=O)Nc1ccc(SCCCC(=O)Nc2nccs2)nn1.
What is the InChIKey of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is PEWZFSBQMGPJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S2/c1-9(19)15-10-4-5-12(18-17-10)21-7-2-3-11(20)16-13-14-6-8-22-13/h4-6,8H,2-3,7H2,1H3,(H,14,16,20)(H,15,17,19).
What are the key properties of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 337.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 42173132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).