N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine

C11H13BrN2S — CID 104555303

IUPACN-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine
SMILESCC(CBr)N(C)c1nccc2sccc12
InChIInChI=1S/C11H13BrN2S/c1-8(7-12)14(2)11-9-4-6-15-10(9)3-5-13-11/h3-6,8H,7H2,1-2H3
InChIKeyWOGABKWGTTZEGB-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.52
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine

N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine (PubChem CID 104555303) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine
PubChem CID104555303
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC NameN-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine
SMILESCC(CBr)N(C)c1nccc2sccc12
InChIInChI=1S/C11H13BrN2S/c1-8(7-12)14(2)11-9-4-6-15-10(9)3-5-13-11/h3-6,8H,7H2,1-2H3
InChIKeyWOGABKWGTTZEGB-UHFFFAOYSA-N
XLogP3.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine 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 N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine (CID 104555303) is N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine is CC(CBr)N(C)c1nccc2sccc12.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine?
The InChIKey is WOGABKWGTTZEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-8(7-12)14(2)11-9-4-6-15-10(9)3-5-13-11/h3-6,8H,7H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine?
N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine has a molecular weight of 285.21 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 104555303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).