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

C27H21N3OS — CID 163918979

IUPAC1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone
SMILESNc1c(C(=O)CNc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C27H21N3OS/c28-25-24-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)30-27(24)32-26(25)23(31)17-29-20-14-8-3-9-15-20/h1-16,29H,17,28H2
InChIKeyQYTIHTSPLLMTIN-UHFFFAOYSA-N
MW435.55 g/mol
LogP6.51
Rot. Bonds6

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

1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone (PubChem CID 163918979) has the molecular formula C27H21N3OS and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone.

Molecular Properties

Compound Name1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone
PubChem CID163918979
Molecular FormulaC27H21N3OS
Molecular Weight435.55 g/mol
Exact Mass435.14
IUPAC Name1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone
SMILESNc1c(C(=O)CNc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C27H21N3OS/c28-25-24-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)30-27(24)32-26(25)23(31)17-29-20-14-8-3-9-15-20/h1-16,29H,17,28H2
InChIKeyQYTIHTSPLLMTIN-UHFFFAOYSA-N
XLogP6.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone with MolForge

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Related Compounds

3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3120416
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
3-amino-4-(4-methylphenyl)-6-phenyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
CID 23997932
3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165376
[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5230190
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23859670

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone?
The IUPAC name of 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone (CID 163918979) is 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone.
What is the SMILES notation for 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone?
The canonical SMILES for 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone is Nc1c(C(=O)CNc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone?
The InChIKey is QYTIHTSPLLMTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3OS/c28-25-24-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)30-27(24)32-26(25)23(31)17-29-20-14-8-3-9-15-20/h1-16,29H,17,28H2.
What are the key properties of 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone?
1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone has a molecular weight of 435.55 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone is sourced from PubChem (CID 163918979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).