5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione

C8H8BrN5O2S — CID 79764411

IUPAC5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESNNc1ncc(Cn2cc(Br)c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H8BrN5O2S/c9-5-3-14(8(16)12-6(5)15)2-4-1-11-7(13-10)17-4/h1,3H,2,10H2,(H,11,13)(H,12,15,16)
InChIKeySUQHGECEPDVYGG-UHFFFAOYSA-N
MW318.16 g/mol
LogP0.09
Rot. Bonds3

About 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione

5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 79764411) has the molecular formula C8H8BrN5O2S and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID79764411
Molecular FormulaC8H8BrN5O2S
Molecular Weight318.16 g/mol
Exact Mass316.96
IUPAC Name5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESNNc1ncc(Cn2cc(Br)c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H8BrN5O2S/c9-5-3-14(8(16)12-6(5)15)2-4-1-11-7(13-10)17-4/h1,3H,2,10H2,(H,11,13)(H,12,15,16)
InChIKeySUQHGECEPDVYGG-UHFFFAOYSA-N
XLogP0.09
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione (CID 79764411) is 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione is NNc1ncc(Cn2cc(Br)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is SUQHGECEPDVYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O2S/c9-5-3-14(8(16)12-6(5)15)2-4-1-11-7(13-10)17-4/h1,3H,2,10H2,(H,11,13)(H,12,15,16).
What are the key properties of 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 318.16 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 79764411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).