2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C13H14N4O2S2 — CID 42139030

IUPAC2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCc2cccs2)nn1
InChIInChI=1S/C13H14N4O2S2/c1-9(18)15-11-4-5-13(17-16-11)21-8-12(19)14-7-10-3-2-6-20-10/h2-6H,7-8H2,1H3,(H,14,19)(H,15,16,18)
InChIKeyNHOZAZIWCKAVNQ-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.90
Rot. Bonds6

About 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 42139030) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID42139030
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCc2cccs2)nn1
InChIInChI=1S/C13H14N4O2S2/c1-9(18)15-11-4-5-13(17-16-11)21-8-12(19)14-7-10-3-2-6-20-10/h2-6H,7-8H2,1H3,(H,14,19)(H,15,16,18)
InChIKeyNHOZAZIWCKAVNQ-UHFFFAOYSA-N
XLogP1.90
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[6-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]sulfanylpyridazin-3-yl]benzamide
CID 42173962
2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 50844410
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 42138904
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 102630549
2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2501659
2-(1-propyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 655852
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 35949812
4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid
CID 43242269
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522137
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 42139030) is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CC(=O)Nc1ccc(SCC(=O)NCc2cccs2)nn1.
What is the InChIKey of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NHOZAZIWCKAVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-9(18)15-11-4-5-13(17-16-11)21-8-12(19)14-7-10-3-2-6-20-10/h2-6H,7-8H2,1H3,(H,14,19)(H,15,16,18).
What are the key properties of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 322.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 42139030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).