2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate

C12H12N2O2S — CID 63263035

IUPAC2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCCc1cccnc1
InChIInChI=1S/C12H12N2O2S/c13-10-4-7-17-11(10)12(15)16-6-3-9-2-1-5-14-8-9/h1-2,4-5,7-8H,3,6,13H2
InChIKeyWKYYKTYOFJQQAH-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.12
Rot. Bonds4

About 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate

2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate (PubChem CID 63263035) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
PubChem CID63263035
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCCc1cccnc1
InChIInChI=1S/C12H12N2O2S/c13-10-4-7-17-11(10)12(15)16-6-3-9-2-1-5-14-8-9/h1-2,4-5,7-8H,3,6,13H2
InChIKeyWKYYKTYOFJQQAH-UHFFFAOYSA-N
XLogP2.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate
CID 65446877
2-pyridin-3-ylethyl 3-amino-2-methylbenzoate
CID 63262806
2-pyridin-3-ylethyl 3-amino-4-bromobenzoate
CID 63263115
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549
2-pyridin-3-ylethyl N-(diaminomethylidene)carbamate
CID 142116410
2-pyridin-3-ylethyl quinoline-4-carboxylate
CID 127257423
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
2-cyclohexylethyl 3-aminothiophene-2-carboxylate
CID 114192372
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate?
The IUPAC name of 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate (CID 63263035) is 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate.
What is the SMILES notation for 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate?
The canonical SMILES for 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate is Nc1ccsc1C(=O)OCCc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate?
The InChIKey is WKYYKTYOFJQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-10-4-7-17-11(10)12(15)16-6-3-9-2-1-5-14-8-9/h1-2,4-5,7-8H,3,6,13H2.
What are the key properties of 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate?
2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 63263035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).