methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate

C9H8N2O2S — CID 135394308

IUPACmethyl 7-aminothieno[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N)c2sccc12
InChIInChI=1S/C9H8N2O2S/c1-13-9(12)6-4-11-8(10)7-5(6)2-3-14-7/h2-4H,1H3,(H2,10,11)
InChIKeyYLKSOTCMLHREQE-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.67
Rot. Bonds1

About methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate

methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate (PubChem CID 135394308) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-aminothieno[2,3-c]pyridine-4-carboxylate
PubChem CID135394308
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Namemethyl 7-aminothieno[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N)c2sccc12
InChIInChI=1S/C9H8N2O2S/c1-13-9(12)6-4-11-8(10)7-5(6)2-3-14-7/h2-4H,1H3,(H2,10,11)
InChIKeyYLKSOTCMLHREQE-UHFFFAOYSA-N
XLogP1.67
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-3-methylthieno[3,2-c]pyridine-7-carboxylate
CID 135393998
methyl 7-chloro-1-benzothiophene-4-carboxylate
CID 130063077
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate
CID 84675996
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
methyl 4-(2-aminothiophene-3-carbonyl)benzoate
CID 59783735
methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate
CID 135020771
methyl 7-methyl-1,2-benzothiazole-4-carboxylate
CID 130064177
methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate
CID 14639204

Frequently Asked Questions

What is the IUPAC name of methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate (CID 135394308) is methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N)c2sccc12.
What is the InChIKey of methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate?
The InChIKey is YLKSOTCMLHREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-13-9(12)6-4-11-8(10)7-5(6)2-3-14-7/h2-4H,1H3,(H2,10,11).
What are the key properties of methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate?
methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate has a molecular weight of 208.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-aminothieno[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 135394308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).