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

C10H14N2O2S — CID 155090715

IUPACmethyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2c(c1N)CN(C)CC2
InChIInChI=1S/C10H14N2O2S/c1-12-4-3-7-6(5-12)8(11)9(15-7)10(13)14-2/h3-5,11H2,1-2H3
InChIKeyQZSKACFWTOTTIL-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.10
Rot. Bonds1

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

methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate (PubChem CID 155090715) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
PubChem CID155090715
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2c(c1N)CN(C)CC2
InChIInChI=1S/C10H14N2O2S/c1-12-4-3-7-6(5-12)8(11)9(15-7)10(13)14-2/h3-5,11H2,1-2H3
InChIKeyQZSKACFWTOTTIL-UHFFFAOYSA-N
XLogP1.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate (CID 155090715) is methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate is COC(=O)c1sc2c(c1N)CN(C)CC2.
What is the InChIKey of methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate?
The InChIKey is QZSKACFWTOTTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12-4-3-7-6(5-12)8(11)9(15-7)10(13)14-2/h3-5,11H2,1-2H3.
What are the key properties of methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate?
methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 155090715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).