7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H13N3O3S2 — CID 5196327

IUPAC7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNc1cc(=O)n2c(n1)SCC2CS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13N3O3S2/c14-11-6-12(17)16-9(7-20-13(16)15-11)8-21(18,19)10-4-2-1-3-5-10/h1-6,9H,7-8,14H2
InChIKeyCHBBIFUWQWITRJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.95
Rot. Bonds3

About 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 5196327) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID5196327
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNc1cc(=O)n2c(n1)SCC2CS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13N3O3S2/c14-11-6-12(17)16-9(7-20-13(16)15-11)8-21(18,19)10-4-2-1-3-5-10/h1-6,9H,7-8,14H2
InChIKeyCHBBIFUWQWITRJ-UHFFFAOYSA-N
XLogP0.95
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 5196327) is 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Nc1cc(=O)n2c(n1)SCC2CS(=O)(=O)c1ccccc1.
What is the InChIKey of 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CHBBIFUWQWITRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c14-11-6-12(17)16-9(7-20-13(16)15-11)8-21(18,19)10-4-2-1-3-5-10/h1-6,9H,7-8,14H2.
What are the key properties of 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 323.40 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 5196327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).