5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide

C10H10BrN5OS — CID 70383297

IUPAC5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide
SMILESBr.Cc1nc2ncccn2c1C1=NNC(=O)SC1
InChIInChI=1S/C10H9N5OS.BrH/c1-6-8(7-5-17-10(16)14-13-7)15-4-2-3-11-9(15)12-6;/h2-4H,5H2,1H3,(H,14,16);1H
InChIKeySAAXWGPQXQTBLC-UHFFFAOYSA-N
MW328.20 g/mol
LogP1.78
Rot. Bonds1

About 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide

5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide (PubChem CID 70383297) has the molecular formula C10H10BrN5OS and a molecular weight of 328.20 g/mol. Its IUPAC name is 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide.

Molecular Properties

Compound Name5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide
PubChem CID70383297
Molecular FormulaC10H10BrN5OS
Molecular Weight328.20 g/mol
Exact Mass326.98
IUPAC Name5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide
SMILESBr.Cc1nc2ncccn2c1C1=NNC(=O)SC1
InChIInChI=1S/C10H9N5OS.BrH/c1-6-8(7-5-17-10(16)14-13-7)15-4-2-3-11-9(15)12-6;/h2-4H,5H2,1H3,(H,14,16);1H
InChIKeySAAXWGPQXQTBLC-UHFFFAOYSA-N
XLogP1.78
TPSA71.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide?
The IUPAC name of 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide (CID 70383297) is 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide.
What is the SMILES notation for 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide?
The canonical SMILES for 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide is Br.Cc1nc2ncccn2c1C1=NNC(=O)SC1.
What is the InChIKey of 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide?
The InChIKey is SAAXWGPQXQTBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS.BrH/c1-6-8(7-5-17-10(16)14-13-7)15-4-2-3-11-9(15)12-6;/h2-4H,5H2,1H3,(H,14,16);1H.
What are the key properties of 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide?
5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide has a molecular weight of 328.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrobromide is sourced from PubChem (CID 70383297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).