N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine

C15H14N8S — CID 143465162

IUPACN-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine
SMILESC=CCCn1cc(-c2cnc3c(Nc4nncs4)nccn23)cn1
InChIInChI=1S/C15H14N8S/c1-2-3-5-22-9-11(7-19-22)12-8-17-14-13(16-4-6-23(12)14)20-15-21-18-10-24-15/h2,4,6-10H,1,3,5H2,(H,16,20,21)
InChIKeyGZPVVNJKQSGYAA-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.76
Rot. Bonds6

About N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine

N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 143465162) has the molecular formula C15H14N8S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine
PubChem CID143465162
Molecular FormulaC15H14N8S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC NameN-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine
SMILESC=CCCn1cc(-c2cnc3c(Nc4nncs4)nccn23)cn1
InChIInChI=1S/C15H14N8S/c1-2-3-5-22-9-11(7-19-22)12-8-17-14-13(16-4-6-23(12)14)20-15-21-18-10-24-15/h2,4,6-10H,1,3,5H2,(H,16,20,21)
InChIKeyGZPVVNJKQSGYAA-UHFFFAOYSA-N
XLogP2.76
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine (CID 143465162) is N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine is C=CCCn1cc(-c2cnc3c(Nc4nncs4)nccn23)cn1.
What is the InChIKey of N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GZPVVNJKQSGYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8S/c1-2-3-5-22-9-11(7-19-22)12-8-17-14-13(16-4-6-23(12)14)20-15-21-18-10-24-15/h2,4,6-10H,1,3,5H2,(H,16,20,21).
What are the key properties of N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine?
N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 338.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-but-3-enylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 143465162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).