2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole

C15H14BrN5S — CID 167871302

IUPAC2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole
SMILESBrc1cnc2n1CCN(c1nnc(Cc3ccccc3)s1)C2
InChIInChI=1S/C15H14BrN5S/c16-12-9-17-13-10-20(6-7-21(12)13)15-19-18-14(22-15)8-11-4-2-1-3-5-11/h1-5,9H,6-8,10H2
InChIKeyPYGNQHNIXRYYFL-UHFFFAOYSA-N
MW376.28 g/mol
LogP3.11
Rot. Bonds3

About 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole

2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole (PubChem CID 167871302) has the molecular formula C15H14BrN5S and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole
PubChem CID167871302
Molecular FormulaC15H14BrN5S
Molecular Weight376.28 g/mol
Exact Mass375.02
IUPAC Name2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole
SMILESBrc1cnc2n1CCN(c1nnc(Cc3ccccc3)s1)C2
InChIInChI=1S/C15H14BrN5S/c16-12-9-17-13-10-20(6-7-21(12)13)15-19-18-14(22-15)8-11-4-2-1-3-5-11/h1-5,9H,6-8,10H2
InChIKeyPYGNQHNIXRYYFL-UHFFFAOYSA-N
XLogP3.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one
CID 75503280
[4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499216
2-[(4-fluorophenyl)methyl]-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133466280
3-bromo-7-(3-bromo-4-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 167816563
2-(4-benzyl-1,4-diazepan-1-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133466273
2-(2-benzylphenoxy)-1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 100644833
[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133451403
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 133451787
2-benzyl-5-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-3-yl]piperazin-1-yl]-1,3,4-thiadiazole
CID 172585331
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133465792
(4aS,8aR)-6-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 98888317

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole (CID 167871302) is 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole is Brc1cnc2n1CCN(c1nnc(Cc3ccccc3)s1)C2.
What is the InChIKey of 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole?
The InChIKey is PYGNQHNIXRYYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5S/c16-12-9-17-13-10-20(6-7-21(12)13)15-19-18-14(22-15)8-11-4-2-1-3-5-11/h1-5,9H,6-8,10H2.
What are the key properties of 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole?
2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole has a molecular weight of 376.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 167871302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).