3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde

C19H14N2OS2 — CID 146272232

IUPAC3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde
SMILESCNc1c(C=O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C19H14N2OS2/c1-20-18-16(11-22)24-19-17(18)13(12-6-3-2-4-7-12)10-14(21-19)15-8-5-9-23-15/h2-11,20H,1H3
InChIKeyKBZLTVRMJSPXKD-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.55
Rot. Bonds4

About 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde

3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 146272232) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID146272232
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde
SMILESCNc1c(C=O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C19H14N2OS2/c1-20-18-16(11-22)24-19-17(18)13(12-6-3-2-4-7-12)10-14(21-19)15-8-5-9-23-15/h2-11,20H,1H3
InChIKeyKBZLTVRMJSPXKD-UHFFFAOYSA-N
XLogP5.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
13-phenyl-11-thiophen-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,6-diamine;hydrobromide
CID 52998080
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol
CID 118050770
4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 122624276
propyl 3-methyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
CID 155786799
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 145170881
2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 12966419
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate
CID 118050655
4-[(S)-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinyl]butyl acetate
CID 134194395
1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39895811
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde (CID 146272232) is 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde is CNc1c(C=O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is KBZLTVRMJSPXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c1-20-18-16(11-22)24-19-17(18)13(12-6-3-2-4-7-12)10-14(21-19)15-8-5-9-23-15/h2-11,20H,1H3.
What are the key properties of 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde?
3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 350.47 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 146272232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).