ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate

C21H17N3O2S — CID 1241263

IUPACethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N
InChIInChI=1S/C21H17N3O2S/c1-2-26-21(25)19-17(22)16-15(13-9-5-3-6-10-13)18(23-24-20(16)27-19)14-11-7-4-8-12-14/h3-12H,2,22H2,1H3
InChIKeyZETNLSPJEBYALN-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.78
Rot. Bonds4

About ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate

ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate (PubChem CID 1241263) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
PubChem CID1241263
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Nameethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N
InChIInChI=1S/C21H17N3O2S/c1-2-26-21(25)19-17(22)16-15(13-9-5-3-6-10-13)18(23-24-20(16)27-19)14-11-7-4-8-12-14/h3-12H,2,22H2,1H3
InChIKeyZETNLSPJEBYALN-UHFFFAOYSA-N
XLogP4.78
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3,4-diphenyl-5-pyrrol-1-ylthieno[2,3-c]pyridazine-6-carboxylate
CID 6406848
ethyl 5-amino-11,12-diphenyl-3-oxa-7-thia-9,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene-4-carboxylate
CID 10621778
ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3440881
ethyl 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 981016
ethyl 12,13-diphenyl-4-(propan-2-ylamino)-8-thia-3,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carboxylate
CID 101110525
ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
CID 19064926
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
ethyl 3-amino-4-(1,3-diphenylpyrazol-4-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 10649541
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
ethyl 3,6-diamino-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 23775054
ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate
CID 15514652

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate?
The IUPAC name of ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate (CID 1241263) is ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate.
What is the SMILES notation for ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate?
The canonical SMILES for ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate is CCOC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N.
What is the InChIKey of ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate?
The InChIKey is ZETNLSPJEBYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-2-26-21(25)19-17(22)16-15(13-9-5-3-6-10-13)18(23-24-20(16)27-19)14-11-7-4-8-12-14/h3-12H,2,22H2,1H3.
What are the key properties of ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate?
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate is sourced from PubChem (CID 1241263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).