1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone

C10H16N2O2S — CID 103423278

IUPAC1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
SMILESCOc1c(NC(C)C)sc(C(C)=O)c1N
InChIInChI=1S/C10H16N2O2S/c1-5(2)12-10-8(14-4)7(11)9(15-10)6(3)13/h5,12H,11H2,1-4H3
InChIKeyRBNWCTFDRYIYHN-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.36
Rot. Bonds4

About 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone

1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone (PubChem CID 103423278) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
PubChem CID103423278
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
SMILESCOc1c(NC(C)C)sc(C(C)=O)c1N
InChIInChI=1S/C10H16N2O2S/c1-5(2)12-10-8(14-4)7(11)9(15-10)6(3)13/h5,12H,11H2,1-4H3
InChIKeyRBNWCTFDRYIYHN-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone 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 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone (CID 103423278) is 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone is COc1c(NC(C)C)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone?
The InChIKey is RBNWCTFDRYIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5(2)12-10-8(14-4)7(11)9(15-10)6(3)13/h5,12H,11H2,1-4H3.
What are the key properties of 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone?
1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone has a molecular weight of 228.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone is sourced from PubChem (CID 103423278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).