ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate

C11H16N2O2S — CID 171987495

IUPACethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2c(c1N)CCN(C)C2
InChIInChI=1S/C11H16N2O2S/c1-3-15-11(14)10-9(12)7-4-5-13(2)6-8(7)16-10/h3-6,12H2,1-2H3
InChIKeyWBOLCSBNLDZOCB-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.49
Rot. Bonds2

About ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate

ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 171987495) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
PubChem CID171987495
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2c(c1N)CCN(C)C2
InChIInChI=1S/C11H16N2O2S/c1-3-15-11(14)10-9(12)7-4-5-13(2)6-8(7)16-10/h3-6,12H2,1-2H3
InChIKeyWBOLCSBNLDZOCB-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
CID 155090715
ethyl 6-methyl-2-(methylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 134113577
ethyl 2-(2-chloroethylcarbamoylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 46202160
ethyl 6-methyl-2-(9H-xanthene-9-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950171
ethyl 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 84560422
ethyl 2-[(4-ethoxybenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973287
ethyl 6-methyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3712667
ethyl 7-cyano-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-2-carboxylate
CID 15158033
methyl 3-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
CID 126455402
2-amino-6-methyl-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43174797
ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44989541
ethyl 2-[(4-cyanobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973280

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate (CID 171987495) is ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1sc2c(c1N)CCN(C)C2.
What is the InChIKey of ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is WBOLCSBNLDZOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-15-11(14)10-9(12)7-4-5-13(2)6-8(7)16-10/h3-6,12H2,1-2H3.
What are the key properties of ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate?
ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 171987495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).