(2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone

C11H12N2O2S — CID 143691533

IUPAC(2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone
SMILESCOC1CC=C(C(=O)c2ccsc2N)C=N1
InChIInChI=1S/C11H12N2O2S/c1-15-9-3-2-7(6-13-9)10(14)8-4-5-16-11(8)12/h2,4-6,9H,3,12H2,1H3
InChIKeySZXQVBRTAVQPQD-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.89
Rot. Bonds3

About (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone

(2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone (PubChem CID 143691533) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone
PubChem CID143691533
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone
SMILESCOC1CC=C(C(=O)c2ccsc2N)C=N1
InChIInChI=1S/C11H12N2O2S/c1-15-9-3-2-7(6-13-9)10(14)8-4-5-16-11(8)12/h2,4-6,9H,3,12H2,1H3
InChIKeySZXQVBRTAVQPQD-UHFFFAOYSA-N
XLogP1.89
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone?
The IUPAC name of (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone (CID 143691533) is (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone.
What is the SMILES notation for (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone?
The canonical SMILES for (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone is COC1CC=C(C(=O)c2ccsc2N)C=N1.
What is the InChIKey of (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone?
The InChIKey is SZXQVBRTAVQPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-9-3-2-7(6-13-9)10(14)8-4-5-16-11(8)12/h2,4-6,9H,3,12H2,1H3.
What are the key properties of (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone?
(2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone has a molecular weight of 236.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminothiophen-3-yl)-(2-methoxy-2,3-dihydropyridin-5-yl)methanone is sourced from PubChem (CID 143691533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).