methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate

C10H10N2O2S — CID 792057

IUPACmethyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)ccc2c1N
InChIInChI=1S/C10H10N2O2S/c1-5-3-4-6-7(11)8(10(13)14-2)15-9(6)12-5/h3-4H,11H2,1-2H3
InChIKeyHMMFNSAWWIYSJL-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.97
Rot. Bonds1

About methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 792057) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID792057
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namemethyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)ccc2c1N
InChIInChI=1S/C10H10N2O2S/c1-5-3-4-6-7(11)8(10(13)14-2)15-9(6)12-5/h3-4H,11H2,1-2H3
InChIKeyHMMFNSAWWIYSJL-UHFFFAOYSA-N
XLogP1.97
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057256
methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
CID 36995603
N-(4-acetamidophenyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23944865
2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83215440
3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932
methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 23888939
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057251
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 131254450
3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 114420605
3-amino-N-(4-hydroxybutan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 83180766
3-amino-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23774841
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23859628

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 792057) is methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(C)ccc2c1N.
What is the InChIKey of methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is HMMFNSAWWIYSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-5-3-4-6-7(11)8(10(13)14-2)15-9(6)12-5/h3-4H,11H2,1-2H3.
What are the key properties of methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 792057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).