propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate

C11H12N2O2S — CID 69161368

IUPACpropan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C11H12N2O2S/c1-6(2)15-11(14)10-9(12)7-3-4-13-5-8(7)16-10/h3-6H,12H2,1-2H3
InChIKeyAOGCTYVTTYHXDP-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.44
Rot. Bonds2

About propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate

propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate (PubChem CID 69161368) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
PubChem CID69161368
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Namepropan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C11H12N2O2S/c1-6(2)15-11(14)10-9(12)7-3-4-13-5-8(7)16-10/h3-6H,12H2,1-2H3
InChIKeyAOGCTYVTTYHXDP-UHFFFAOYSA-N
XLogP2.44
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302
1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
CID 58826843
methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate
CID 130058404
3-amino-N-[1-(furan-2-yl)ethyl]thieno[2,3-c]pyridine-2-carboxamide
CID 114289175
3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289374
propan-2-yl thieno[2,3-c]pyridine-3-carboxylate
CID 141058148
3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 106331585

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate (CID 69161368) is propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate is CC(C)OC(=O)c1sc2cnccc2c1N.
What is the InChIKey of propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is AOGCTYVTTYHXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6(2)15-11(14)10-9(12)7-3-4-13-5-8(7)16-10/h3-6H,12H2,1-2H3.
What are the key properties of propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate?
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 69161368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).