thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate

C12H12N2O2S — CID 107339983

IUPACthiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate
SMILESNc1ccc(CC(=O)OCc2cccs2)nc1
InChIInChI=1S/C12H12N2O2S/c13-9-3-4-10(14-7-9)6-12(15)16-8-11-2-1-5-17-11/h1-5,7H,6,8,13H2
InChIKeyQPCMVYQMPJTTSV-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.01
Rot. Bonds4

About thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate

thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate (PubChem CID 107339983) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate
PubChem CID107339983
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namethiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate
SMILESNc1ccc(CC(=O)OCc2cccs2)nc1
InChIInChI=1S/C12H12N2O2S/c13-9-3-4-10(14-7-9)6-12(15)16-8-11-2-1-5-17-11/h1-5,7H,6,8,13H2
InChIKeyQPCMVYQMPJTTSV-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-2-ylmethyl 4-aminobenzoate
CID 61322513
thiophen-2-ylmethyl 3-(4-aminophenyl)butanoate
CID 104503252
thiophen-2-ylmethyl 2-acetylsulfanylacetate
CID 139696751
thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
CID 112558524
5-amino-2-(thiophen-2-ylmethoxy)pyridine-3-carboxamide
CID 54966607
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985
2-(5-amino-2-pyridinyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 107339275
2-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]ethanamine
CID 79800061
2-(5-amino-2-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 107338504
thiophen-2-ylmethyl (E)-3-(4-aminophenyl)prop-2-enoate
CID 113290763
thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271846
thiophen-2-ylmethyl dodecanoate
CID 139970081

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate?
The IUPAC name of thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate (CID 107339983) is thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate.
What is the SMILES notation for thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate?
The canonical SMILES for thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate is Nc1ccc(CC(=O)OCc2cccs2)nc1.
What is the InChIKey of thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate?
The InChIKey is QPCMVYQMPJTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-9-3-4-10(14-7-9)6-12(15)16-8-11-2-1-5-17-11/h1-5,7H,6,8,13H2.
What are the key properties of thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate?
thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate has a molecular weight of 248.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate is sourced from PubChem (CID 107339983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).