3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine

C17H14ClN5S — CID 143460922

IUPAC3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine
SMILESCN(Cl)c1cccc(Nc2nccn3c(-c4cccs4)cnc23)c1
InChIInChI=1S/C17H14ClN5S/c1-22(18)13-5-2-4-12(10-13)21-16-17-20-11-14(15-6-3-9-24-15)23(17)8-7-19-16/h2-11H,1H3,(H,19,21)
InChIKeyKUCRBBRVGLDJBM-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.79
Rot. Bonds4

About 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine

3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine (PubChem CID 143460922) has the molecular formula C17H14ClN5S and a molecular weight of 355.85 g/mol. Its IUPAC name is 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine
PubChem CID143460922
Molecular FormulaC17H14ClN5S
Molecular Weight355.85 g/mol
Exact Mass355.07
IUPAC Name3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine
SMILESCN(Cl)c1cccc(Nc2nccn3c(-c4cccs4)cnc23)c1
InChIInChI=1S/C17H14ClN5S/c1-22(18)13-5-2-4-12(10-13)21-16-17-20-11-14(15-6-3-9-24-15)23(17)8-7-19-16/h2-11H,1H3,(H,19,21)
InChIKeyKUCRBBRVGLDJBM-UHFFFAOYSA-N
XLogP4.79
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane
CID 143461063
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde
CID 143460963
1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 143460831
N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
CID 58873938
3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 143460489
1-N-ethyl-3-N-[3-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
CID 143460997
ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143757075
N-(4-chlorophenyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126474756
N-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126474587
3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328545
N-(4-methoxyphenyl)-3-phenylimidazo[1,2-a]pyrazin-8-amine
CID 11483908
4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine
CID 166890004

Frequently Asked Questions

What is the IUPAC name of 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine (CID 143460922) is 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine is CN(Cl)c1cccc(Nc2nccn3c(-c4cccs4)cnc23)c1.
What is the InChIKey of 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine?
The InChIKey is KUCRBBRVGLDJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5S/c1-22(18)13-5-2-4-12(10-13)21-16-17-20-11-14(15-6-3-9-24-15)23(17)8-7-19-16/h2-11H,1H3,(H,19,21).
What are the key properties of 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine?
3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine has a molecular weight of 355.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine is sourced from PubChem (CID 143460922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).