N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C16H14N8S3 — CID 71024028

About N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 71024028) has the molecular formula C16H14N8S3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
• PubChem CID: 71024028
• Molecular Formula: C16H14N8S3
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.05
• IUPAC Name: N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
• SMILES: Cc1cc(Nc2nc(Sc3nccs3)cn3c(C4C=NNC4)cnc23)sn1
• InChI: InChI=1S/C16H14N8S3/c1-9-4-12(27-23-9)21-14-15-18-7-11(10-5-19-20-6-10)24(15)8-13(22-14)26-16-17-2-3-25-16/h2-5,7-8,10,20H,6H2,1H3,(H,21,22)
• InChIKey: MJXRORLBAQESJP-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 92.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?

The IUPAC name of N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 71024028) is N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

What is the SMILES notation for N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?

The canonical SMILES for N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Sc3nccs3)cn3c(C4C=NNC4)cnc23)sn1.

What is the InChIKey of N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?

The InChIKey is MJXRORLBAQESJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8S3/c1-9-4-12(27-23-9)21-14-15-18-7-11(10-5-19-20-6-10)24(15)8-13(22-14)26-16-17-2-3-25-16/h2-5,7-8,10,20H,6H2,1H3,(H,21,22).

What are the key properties of N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?

N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 414.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 71024028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).