3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline

C14H13N3OS — CID 143488204

IUPAC3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline
SMILESNc1c(C=O)sc2ncccc12.Nc1ccccc1
InChIInChI=1S/C8H6N2OS.C6H7N/c9-7-5-2-1-3-10-8(5)12-6(7)4-11;7-6-4-2-1-3-5-6/h1-4H,9H2;1-5H,7H2
InChIKeyBVUSGPCWLBVWAU-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.96
Rot. Bonds1

About 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline

3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline (PubChem CID 143488204) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline.

Molecular Properties

Compound Name3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline
PubChem CID143488204
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline
SMILESNc1c(C=O)sc2ncccc12.Nc1ccccc1
InChIInChI=1S/C8H6N2OS.C6H7N/c9-7-5-2-1-3-10-8(5)12-6(7)4-11;7-6-4-2-1-3-5-6/h1-4H,9H2;1-5H,7H2
InChIKeyBVUSGPCWLBVWAU-UHFFFAOYSA-N
XLogP2.96
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374291
3-ethylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374274
(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 16764531
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309
2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine
CID 89447556
aniline;pyrimidin-2-amine
CID 160724297
(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
CID 16763566
2-(furan-2-yl)thieno[2,3-b]pyridin-3-amine
CID 119087007
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
[1]benzothiolo[2,3-b]pyridin-8-amine
CID 118860905
1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 161169129

Frequently Asked Questions

What is the IUPAC name of 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline?
The IUPAC name of 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline (CID 143488204) is 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline.
What is the SMILES notation for 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline?
The canonical SMILES for 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline is Nc1c(C=O)sc2ncccc12.Nc1ccccc1.
What is the InChIKey of 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline?
The InChIKey is BVUSGPCWLBVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS.C6H7N/c9-7-5-2-1-3-10-8(5)12-6(7)4-11;7-6-4-2-1-3-5-6/h1-4H,9H2;1-5H,7H2.
What are the key properties of 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline?
3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline has a molecular weight of 271.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothieno[2,3-b]pyridine-2-carbaldehyde;aniline is sourced from PubChem (CID 143488204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).