2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

C6H7N2S+ — CID 586979

IUPAC2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESc1cnc2[n+](c1)CCS2
InChIInChI=1S/C6H7N2S/c1-2-7-6-8(3-1)4-5-9-6/h1-3H,4-5H2/q+1
InChIKeyZLFVBLPKCVGVGU-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.47
Rot. Bonds

About 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (PubChem CID 586979) has the molecular formula C6H7N2S+ and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.

Molecular Properties

Compound Name2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
PubChem CID586979
Molecular FormulaC6H7N2S+
Molecular Weight139.20 g/mol
Exact Mass139.03
IUPAC Name2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESc1cnc2[n+](c1)CCS2
InChIInChI=1S/C6H7N2S/c1-2-7-6-8(3-1)4-5-9-6/h1-3H,4-5H2/q+1
InChIKeyZLFVBLPKCVGVGU-UHFFFAOYSA-N
XLogP0.47
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The IUPAC name of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (CID 586979) is 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.
What is the SMILES notation for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The canonical SMILES for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is c1cnc2[n+](c1)CCS2.
What is the InChIKey of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The InChIKey is ZLFVBLPKCVGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2S/c1-2-7-6-8(3-1)4-5-9-6/h1-3H,4-5H2/q+1.
What are the key properties of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium has a molecular weight of 139.20 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is sourced from PubChem (CID 586979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).