ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate

C16H15N3O2S — CID 900067

IUPACethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
InChIInChI=1S/C16H15N3O2S/c1-2-21-16(20)14-13(17)12-11(8-9-18-15(12)22-14)19-10-6-4-3-5-7-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyYLLZNWQWKOMTFP-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.80
Rot. Bonds4

About ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate (PubChem CID 900067) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate
PubChem CID900067
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Nameethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
InChIInChI=1S/C16H15N3O2S/c1-2-21-16(20)14-13(17)12-11(8-9-18-15(12)22-14)19-10-6-4-3-5-7-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyYLLZNWQWKOMTFP-UHFFFAOYSA-N
XLogP3.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-amino-4-[(3S)-3-(2-ethoxyethoxymethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 162641696
Ethyl 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxylate
CID 2831728
3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 2764765
Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 738459
Methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 2838748
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
Ethyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 753891
Methyl 4-({[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)benzoate
CID 1006899
3-amino-4-[(3S)-3-(methoxymethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 11573309

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate (CID 900067) is ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nccc(Nc3ccccc3)c2c1N.
What is the InChIKey of ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is YLLZNWQWKOMTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-21-16(20)14-13(17)12-11(8-9-18-15(12)22-14)19-10-6-4-3-5-7-10/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 900067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).