2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine

C15H18N8S — CID 143461060

IUPAC2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine
SMILESCn1cc(C2CN=C3/C(=N\c4ccns4)NC(CCN)=CN32)cn1
InChIInChI=1S/C15H18N8S/c1-22-8-10(6-18-22)12-7-17-15-14(21-13-3-5-19-24-13)20-11(2-4-16)9-23(12)15/h3,5-6,8-9,12H,2,4,7,16H2,1H3,(H,20,21)
InChIKeyPZCFEPQVLFSJKQ-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.16
Rot. Bonds4

About 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine

2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine (PubChem CID 143461060) has the molecular formula C15H18N8S and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine.

Molecular Properties

Compound Name2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine
PubChem CID143461060
Molecular FormulaC15H18N8S
Molecular Weight342.43 g/mol
Exact Mass342.14
IUPAC Name2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine
SMILESCn1cc(C2CN=C3/C(=N\c4ccns4)NC(CCN)=CN32)cn1
InChIInChI=1S/C15H18N8S/c1-22-8-10(6-18-22)12-7-17-15-14(21-13-3-5-19-24-13)20-11(2-4-16)9-23(12)15/h3,5-6,8-9,12H,2,4,7,16H2,1H3,(H,20,21)
InChIKeyPZCFEPQVLFSJKQ-UHFFFAOYSA-N
XLogP1.16
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine?
The IUPAC name of 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine (CID 143461060) is 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine.
What is the SMILES notation for 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine?
The canonical SMILES for 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine is Cn1cc(C2CN=C3/C(=N\c4ccns4)NC(CCN)=CN32)cn1.
What is the InChIKey of 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine?
The InChIKey is PZCFEPQVLFSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8S/c1-22-8-10(6-18-22)12-7-17-15-14(21-13-3-5-19-24-13)20-11(2-4-16)9-23(12)15/h3,5-6,8-9,12H,2,4,7,16H2,1H3,(H,20,21).
What are the key properties of 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine?
2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine has a molecular weight of 342.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine is sourced from PubChem (CID 143461060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).