5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide

C15H14N4OS — CID 80515473

IUPAC5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(NC(=O)c1sc2nnccc2c1N)c1ccccc1
InChIInChI=1S/C15H14N4OS/c1-9(10-5-3-2-4-6-10)18-14(20)13-12(16)11-7-8-17-19-15(11)21-13/h2-9H,16H2,1H3,(H,18,20)
InChIKeyHTUMLHFNXYOICU-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.76
Rot. Bonds3

About 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80515473) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80515473
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(NC(=O)c1sc2nnccc2c1N)c1ccccc1
InChIInChI=1S/C15H14N4OS/c1-9(10-5-3-2-4-6-10)18-14(20)13-12(16)11-7-8-17-19-15(11)21-13/h2-9H,16H2,1H3,(H,18,20)
InChIKeyHTUMLHFNXYOICU-UHFFFAOYSA-N
XLogP2.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-(4-methylhexan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519146
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519173
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028
5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514678
5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide
CID 80519309
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80514556

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80515473) is 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide is CC(NC(=O)c1sc2nnccc2c1N)c1ccccc1.
What is the InChIKey of 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is HTUMLHFNXYOICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9(10-5-3-2-4-6-10)18-14(20)13-12(16)11-7-8-17-19-15(11)21-13/h2-9H,16H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80515473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).