(1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol

C10H9N3S — CID 142111809

IUPAC(1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol
SMILESC=C(/C=C/S)c1cnc2cnccn12
InChIInChI=1S/C10H9N3S/c1-8(2-5-14)9-6-12-10-7-11-3-4-13(9)10/h2-7,14H,1H2/b5-2+
InChIKeyUXFSQOLEHHEYQN-GORDUTHDSA-N
MW203.27 g/mol
LogP2.19
Rot. Bonds2

About (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol

(1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol (PubChem CID 142111809) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol.

Molecular Properties

Compound Name(1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol
PubChem CID142111809
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name(1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol
SMILESC=C(/C=C/S)c1cnc2cnccn12
InChIInChI=1S/C10H9N3S/c1-8(2-5-14)9-6-12-10-7-11-3-4-13(9)10/h2-7,14H,1H2/b5-2+
InChIKeyUXFSQOLEHHEYQN-GORDUTHDSA-N
XLogP2.19
TPSA30.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol 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

imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 22024617
2-imidazo[1,2-a]pyrazin-3-ylpropan-2-ol
CID 84656002
N,N-dibutylimidazo[1,2-a]pyrazine-3-carboxamide
CID 171680276
3-nitrosoimidazo[1,2-a]pyrazine
CID 45088185
N-methylimidazo[1,2-a]pyrazin-3-amine
CID 129151447
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone
CID 171945553
3-imidazo[1,2-a]pyrazin-3-ylprop-2-en-1-amine
CID 169463701
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)ethanamine
CID 115674360
2-methylimidazo[1,2-a]pyrazin-3-ol
CID 135410169
4-imidazo[1,2-a]pyrazin-3-ylbut-3-en-1-amine
CID 170487096
(4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid
CID 141396507
(4-imidazo[1,2-a]pyrazin-3-ylphenyl)methanol
CID 157019835

Frequently Asked Questions

What is the IUPAC name of (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol?
The IUPAC name of (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol (CID 142111809) is (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol.
What is the SMILES notation for (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol?
The canonical SMILES for (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol is C=C(/C=C/S)c1cnc2cnccn12.
What is the InChIKey of (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol?
The InChIKey is UXFSQOLEHHEYQN-GORDUTHDSA-N. The full InChI is InChI=1S/C10H9N3S/c1-8(2-5-14)9-6-12-10-7-11-3-4-13(9)10/h2-7,14H,1H2/b5-2+.
What are the key properties of (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol?
(1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol has a molecular weight of 203.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-imidazo[1,2-a]pyrazin-3-ylbuta-1,3-diene-1-thiol is sourced from PubChem (CID 142111809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).