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

C13H8F2N4OS — CID 80515622

IUPAC5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)Nc2cc(F)ccc2F)sc2nnccc12
InChIInChI=1S/C13H8F2N4OS/c14-6-1-2-8(15)9(5-6)18-12(20)11-10(16)7-3-4-17-19-13(7)21-11/h1-5H,16H2,(H,18,20)
InChIKeyAYOHPWCKBDVBNQ-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.80
Rot. Bonds2

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

5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80515622) has the molecular formula C13H8F2N4OS and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80515622
Molecular FormulaC13H8F2N4OS
Molecular Weight306.30 g/mol
Exact Mass306.04
IUPAC Name5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)Nc2cc(F)ccc2F)sc2nnccc12
InChIInChI=1S/C13H8F2N4OS/c14-6-1-2-8(15)9(5-6)18-12(20)11-10(16)7-3-4-17-19-13(7)21-11/h1-5H,16H2,(H,18,20)
InChIKeyAYOHPWCKBDVBNQ-UHFFFAOYSA-N
XLogP2.80
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514829
5-amino-N-(2-cyanophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515671
3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 39369077
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107638446
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316323
7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 79761881
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80515622) is 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide is Nc1c(C(=O)Nc2cc(F)ccc2F)sc2nnccc12.
What is the InChIKey of 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is AYOHPWCKBDVBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4OS/c14-6-1-2-8(15)9(5-6)18-12(20)11-10(16)7-3-4-17-19-13(7)21-11/h1-5H,16H2,(H,18,20).
What are the key properties of 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 306.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80515622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).