4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol

C17H14N4O2S — CID 135674296

IUPAC4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1O
InChIInChI=1S/C17H14N4O2S/c22-13-4-3-11(8-14(13)23)16-17(19-9-12-2-1-7-24-12)21-6-5-18-10-15(21)20-16/h1-8,10,19,22-23H,9H2
InChIKeyAGHXGXWEGCHIFF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.48
Rot. Bonds4

About 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol

4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol (PubChem CID 135674296) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
PubChem CID135674296
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1O
InChIInChI=1S/C17H14N4O2S/c22-13-4-3-11(8-14(13)23)16-17(19-9-12-2-1-7-24-12)21-6-5-18-10-15(21)20-16/h1-8,10,19,22-23H,9H2
InChIKeyAGHXGXWEGCHIFF-UHFFFAOYSA-N
XLogP3.48
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol 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

2-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
CID 46952213
2-[2-(dimethylamino)pyrimidin-5-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
CID 95802748
2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
CID 95802645
4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
CID 135674297
2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674311
N-(furan-2-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-amine
CID 95802609
2-[3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674314
1-[3-[(3-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535983
N-[(methylideneamino)methyl]-2-phenylimidazo[1,2-a]pyrazin-3-amine
CID 143363755
4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
CID 135649800
3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 53208182
3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 7337977

Frequently Asked Questions

What is the IUPAC name of 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol (CID 135674296) is 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol is Oc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1O.
What is the InChIKey of 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol?
The InChIKey is AGHXGXWEGCHIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-13-4-3-11(8-14(13)23)16-17(19-9-12-2-1-7-24-12)21-6-5-18-10-15(21)20-16/h1-8,10,19,22-23H,9H2.
What are the key properties of 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol?
4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol has a molecular weight of 338.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol is sourced from PubChem (CID 135674296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).