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

C10H9N5OS — CID 14032917

IUPAC5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
SMILESCc1nc2ncccn2c1C1=NNC(=O)SC1
InChIInChI=1S/C10H9N5OS/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)
InChIKeySPZDVBKHLRDOLS-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.20
Rot. Bonds1

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

5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one (PubChem CID 14032917) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one.

Molecular Properties

Compound Name5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
PubChem CID14032917
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
SMILESCc1nc2ncccn2c1C1=NNC(=O)SC1
InChIInChI=1S/C10H9N5OS/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)
InChIKeySPZDVBKHLRDOLS-UHFFFAOYSA-N
XLogP1.20
TPSA71.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.20
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?
The IUPAC name of 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one (CID 14032917) is 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one.
What is the SMILES notation for 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
The canonical SMILES for 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one is 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?
The InChIKey is SPZDVBKHLRDOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/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).
What are the key properties of 5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
5-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one has a molecular weight of 247.28 g/mol, XLogP of 1.20, 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 is sourced from PubChem (CID 14032917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).