2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

C18H12FN3OS2 — CID 58103187

IUPAC2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(Cc2ccsc2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C18H12FN3OS2/c19-12-3-1-11(2-4-12)15-8-13-14(7-10-5-6-24-9-10)21-22-16(18(20)23)17(13)25-15/h1-6,8-9H,7H2,(H2,20,23)
InChIKeyGQUVCWHGEHOTBP-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 58103187) has the molecular formula C18H12FN3OS2 and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID58103187
Molecular FormulaC18H12FN3OS2
Molecular Weight369.45 g/mol
Exact Mass369.04
IUPAC Name2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(Cc2ccsc2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C18H12FN3OS2/c19-12-3-1-11(2-4-12)15-8-13-14(7-10-5-6-24-9-10)21-22-16(18(20)23)17(13)25-15/h1-6,8-9H,7H2,(H2,20,23)
InChIKeyGQUVCWHGEHOTBP-UHFFFAOYSA-N
XLogP4.25
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 58103187) is 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(Cc2ccsc2)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is GQUVCWHGEHOTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS2/c19-12-3-1-11(2-4-12)15-8-13-14(7-10-5-6-24-9-10)21-22-16(18(20)23)17(13)25-15/h1-6,8-9H,7H2,(H2,20,23).
What are the key properties of 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 58103187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).