[5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid

C14H12N4O4S — CID 22112742

IUPAC[5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid
SMILESCOc1ccc(-n2nc(NC(=O)O)c3csc(N)c3c2=O)cc1
InChIInChI=1S/C14H12N4O4S/c1-22-8-4-2-7(3-5-8)18-13(19)10-9(6-23-11(10)15)12(17-18)16-14(20)21/h2-6H,15H2,1H3,(H,16,17)(H,20,21)
InChIKeyQZZWFDFOOPFVBK-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.13
Rot. Bonds3

About [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid

[5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid (PubChem CID 22112742) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid.

Molecular Properties

Compound Name[5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid
PubChem CID22112742
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name[5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid
SMILESCOc1ccc(-n2nc(NC(=O)O)c3csc(N)c3c2=O)cc1
InChIInChI=1S/C14H12N4O4S/c1-22-8-4-2-7(3-5-8)18-13(19)10-9(6-23-11(10)15)12(17-18)16-14(20)21/h2-6H,15H2,1H3,(H,16,17)(H,20,21)
InChIKeyQZZWFDFOOPFVBK-UHFFFAOYSA-N
XLogP2.13
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide
CID 6026852
5-amino-1-[4-(6-fluoro-2-pyridinyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)thieno[3,4-d]pyridazin-4-one
CID 71603776
ethyl 5-amino-3-[4-(methylamino)phenyl]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 71238798
ethyl 3-(4-methoxyphenyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 4600424
ethyl 5-amino-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 71603592
ethyl 3-(4-methoxyphenyl)-4-oxo-5-[[(E)-3-phenylprop-2-enoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 6031596
5-amino-3-(4-chlorophenyl)-1-(2-fluoroethylamino)thieno[3,4-d]pyridazin-4-one
CID 71603401
5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide
CID 51040532
5-amino-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylic acid
CID 123580805
ethyl 3-(4-methoxyphenyl)-5-[[2-(3-methylphenyl)acetyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 5059776
ethyl 5-[(3-chlorobenzoyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 4570314
methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 1008364

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid?
The IUPAC name of [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid (CID 22112742) is [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid.
What is the SMILES notation for [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid?
The canonical SMILES for [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid is COc1ccc(-n2nc(NC(=O)O)c3csc(N)c3c2=O)cc1.
What is the InChIKey of [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid?
The InChIKey is QZZWFDFOOPFVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c1-22-8-4-2-7(3-5-8)18-13(19)10-9(6-23-11(10)15)12(17-18)16-14(20)21/h2-6H,15H2,1H3,(H,16,17)(H,20,21).
What are the key properties of [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid?
[5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid has a molecular weight of 332.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid is sourced from PubChem (CID 22112742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).