3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine

C12H14N2S — CID 81143014

IUPAC3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine
SMILESCC(C)=CC(N)c1cnc2ccsc2c1
InChIInChI=1S/C12H14N2S/c1-8(2)5-10(13)9-6-12-11(14-7-9)3-4-15-12/h3-7,10H,13H2,1-2H3
InChIKeyKYMRXMHWYMAOTB-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.26
Rot. Bonds2

About 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine

3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine (PubChem CID 81143014) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine
PubChem CID81143014
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine
SMILESCC(C)=CC(N)c1cnc2ccsc2c1
InChIInChI=1S/C12H14N2S/c1-8(2)5-10(13)9-6-12-11(14-7-9)3-4-15-12/h3-7,10H,13H2,1-2H3
InChIKeyKYMRXMHWYMAOTB-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-thieno[3,2-b]pyridin-6-ylethanol
CID 64830910
2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-ol
CID 81143466
2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144150
3-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 81143575
1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol
CID 81144232
(2,2-dimethyl-1-thieno[3,2-b]pyridin-6-ylpropyl)hydrazine
CID 105256514
1-thieno[3,2-b]pyridin-6-yl-2-thiophen-3-ylethanamine
CID 81144141
(4-methyl-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144332
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
(3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143868
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine?
The IUPAC name of 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine (CID 81143014) is 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine.
What is the SMILES notation for 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine?
The canonical SMILES for 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine is CC(C)=CC(N)c1cnc2ccsc2c1.
What is the InChIKey of 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine?
The InChIKey is KYMRXMHWYMAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8(2)5-10(13)9-6-12-11(14-7-9)3-4-15-12/h3-7,10H,13H2,1-2H3.
What are the key properties of 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine?
3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine has a molecular weight of 218.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine is sourced from PubChem (CID 81143014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).