5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine

C14H14BrN7S — CID 143465071

IUPAC5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine
SMILESC=C(/C=N\N)c1cnc2c(NC3=C(Br)CC(C)=NS3)nccn12
InChIInChI=1S/C14H14BrN7S/c1-8(6-19-16)11-7-18-13-12(17-3-4-22(11)13)20-14-10(15)5-9(2)21-23-14/h3-4,6-7H,1,5,16H2,2H3,(H,17,20)/b19-6-
InChIKeyGYKNBFSPHSLJEB-SWNXQHNESA-N
MW392.29 g/mol
LogP3.18
Rot. Bonds4

About 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine

5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine (PubChem CID 143465071) has the molecular formula C14H14BrN7S and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine.

Molecular Properties

Compound Name5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine
PubChem CID143465071
Molecular FormulaC14H14BrN7S
Molecular Weight392.29 g/mol
Exact Mass391.02
IUPAC Name5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine
SMILESC=C(/C=N\N)c1cnc2c(NC3=C(Br)CC(C)=NS3)nccn12
InChIInChI=1S/C14H14BrN7S/c1-8(6-19-16)11-7-18-13-12(17-3-4-22(11)13)20-14-10(15)5-9(2)21-23-14/h3-4,6-7H,1,5,16H2,2H3,(H,17,20)/b19-6-
InChIKeyGYKNBFSPHSLJEB-SWNXQHNESA-N
XLogP3.18
TPSA92.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine?
The IUPAC name of 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine (CID 143465071) is 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine.
What is the SMILES notation for 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine?
The canonical SMILES for 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine is C=C(/C=N\N)c1cnc2c(NC3=C(Br)CC(C)=NS3)nccn12.
What is the InChIKey of 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine?
The InChIKey is GYKNBFSPHSLJEB-SWNXQHNESA-N. The full InChI is InChI=1S/C14H14BrN7S/c1-8(6-19-16)11-7-18-13-12(17-3-4-22(11)13)20-14-10(15)5-9(2)21-23-14/h3-4,6-7H,1,5,16H2,2H3,(H,17,20)/b19-6-.
What are the key properties of 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine?
5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine has a molecular weight of 392.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine is sourced from PubChem (CID 143465071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).