N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

C13H14N4OS — CID 113038208

IUPACN-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESC=CCNc1ccc(NC(=O)Cc2cccs2)nn1
InChIInChI=1S/C13H14N4OS/c1-2-7-14-11-5-6-12(17-16-11)15-13(18)9-10-4-3-8-19-10/h2-6,8H,1,7,9H2,(H,14,16)(H,15,17,18)
InChIKeyMIZKMPAHBUFFCZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.32
Rot. Bonds6

About N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 113038208) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID113038208
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESC=CCNc1ccc(NC(=O)Cc2cccs2)nn1
InChIInChI=1S/C13H14N4OS/c1-2-7-14-11-5-6-12(17-16-11)15-13(18)9-10-4-3-8-19-10/h2-6,8H,1,7,9H2,(H,14,16)(H,15,17,18)
InChIKeyMIZKMPAHBUFFCZ-UHFFFAOYSA-N
XLogP2.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide
CID 113038209
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113039330
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113046581
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050922
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048973
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
2-methyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 110475965

Frequently Asked Questions

What is the IUPAC name of N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (CID 113038208) is N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is C=CCNc1ccc(NC(=O)Cc2cccs2)nn1.
What is the InChIKey of N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is MIZKMPAHBUFFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-7-14-11-5-6-12(17-16-11)15-13(18)9-10-4-3-8-19-10/h2-6,8H,1,7,9H2,(H,14,16)(H,15,17,18).
What are the key properties of N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113038208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).