(6-phenylpyridazin-3-yl) thiophene-2-carboxylate

C15H10N2O2S — CID 6403448

IUPAC(6-phenylpyridazin-3-yl) thiophene-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)nn1)c1cccs1
InChIInChI=1S/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H
InChIKeyWIJDBDCYFCOSHK-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.42
Rot. Bonds3

About (6-phenylpyridazin-3-yl) thiophene-2-carboxylate

(6-phenylpyridazin-3-yl) thiophene-2-carboxylate (PubChem CID 6403448) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is (6-phenylpyridazin-3-yl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(6-phenylpyridazin-3-yl) thiophene-2-carboxylate
PubChem CID6403448
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name(6-phenylpyridazin-3-yl) thiophene-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)nn1)c1cccs1
InChIInChI=1S/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H
InChIKeyWIJDBDCYFCOSHK-UHFFFAOYSA-N
XLogP3.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205890
N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7422527
2-(1,2,3-Thiadiazol-4-yl)phenyl 2-thiophenecarboxylate
CID 1471814
3-Phenoxy-6-thiophen-3-ylpyridazine
CID 155524315
2-[6-(4-Ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205972
N-(2-((6-phenylpyridazin-3-yl)oxy)ethyl)thiophene-2-carboxamide
CID 41527453
[6-(4-Fluorophenyl)pyridazin-3-yl] thiophene-2-carboxylate
CID 125538479
1-(4-Methoxyphenyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)ethanone
CID 20900459
4-{2-[6-(Thiophen-2-ylmethoxy)-pyridazin-3-yl]-ethyl}-benzaldehyde
CID 59439128
2-(6-Methoxypyridazin-3-yl)-1-thiophen-2-ylethanone
CID 69678244
2-(6-Methoxypyridazin-3-yl)-1-thiophen-3-ylethanone
CID 69678979
S-[8-(6-nonoxypyridazin-3-yl)octyl] benzenecarbothioate
CID 88462851

Frequently Asked Questions

What is the IUPAC name of (6-phenylpyridazin-3-yl) thiophene-2-carboxylate?
The IUPAC name of (6-phenylpyridazin-3-yl) thiophene-2-carboxylate (CID 6403448) is (6-phenylpyridazin-3-yl) thiophene-2-carboxylate.
What is the SMILES notation for (6-phenylpyridazin-3-yl) thiophene-2-carboxylate?
The canonical SMILES for (6-phenylpyridazin-3-yl) thiophene-2-carboxylate is O=C(Oc1ccc(-c2ccccc2)nn1)c1cccs1.
What is the InChIKey of (6-phenylpyridazin-3-yl) thiophene-2-carboxylate?
The InChIKey is WIJDBDCYFCOSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H.
What are the key properties of (6-phenylpyridazin-3-yl) thiophene-2-carboxylate?
(6-phenylpyridazin-3-yl) thiophene-2-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylpyridazin-3-yl) thiophene-2-carboxylate is sourced from PubChem (CID 6403448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).