1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone

C21H17N2OS+ — CID 4746454

IUPAC1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone
SMILESCC(=O)c1sc2[nH+]c(-c3ccccc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C21H16N2OS/c1-13(24)20-19(22)18-16(14-8-4-2-5-9-14)12-17(23-21(18)25-20)15-10-6-3-7-11-15/h2-12H,22H2,1H3/p+1
InChIKeyDECAZZLVVPAGES-UHFFFAOYSA-O
MW345.45 g/mol
LogP4.83
Rot. Bonds3

About 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone

1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone (PubChem CID 4746454) has the molecular formula C21H17N2OS+ and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone
PubChem CID4746454
Molecular FormulaC21H17N2OS+
Molecular Weight345.45 g/mol
Exact Mass345.11
IUPAC Name1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone
SMILESCC(=O)c1sc2[nH+]c(-c3ccccc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C21H16N2OS/c1-13(24)20-19(22)18-16(14-8-4-2-5-9-14)12-17(23-21(18)25-20)15-10-6-3-7-11-15/h2-12H,22H2,1H3/p+1
InChIKeyDECAZZLVVPAGES-UHFFFAOYSA-O
XLogP4.83
TPSA57.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-carboxylate
CID 4753619
1-(3-amino-5-phenylthiophen-2-yl)ethanone
CID 2807849
1-(3,4-diamino-5-benzoylthieno[2,3-b]thiophen-2-yl)ethanone
CID 57149764
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23859670
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
5-acetyl-2-amino-4-phenylthiophene-3-carboxamide
CID 14362248
N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 3514934
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165376
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone?
The IUPAC name of 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone (CID 4746454) is 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone is CC(=O)c1sc2[nH+]c(-c3ccccc3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone?
The InChIKey is DECAZZLVVPAGES-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H16N2OS/c1-13(24)20-19(22)18-16(14-8-4-2-5-9-14)12-17(23-21(18)25-20)15-10-6-3-7-11-15/h2-12H,22H2,1H3/p+1.
What are the key properties of 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone?
1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone has a molecular weight of 345.45 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-yl)ethanone is sourced from PubChem (CID 4746454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).