(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate

C13H15N3OS3 — CID 7915873

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate
SMILESCc1csc2nc(CSC(=S)N3CCCC3)cc(=O)n12
InChIInChI=1S/C13H15N3OS3/c1-9-7-19-12-14-10(6-11(17)16(9)12)8-20-13(18)15-4-2-3-5-15/h6-7H,2-5,8H2,1H3
InChIKeyFEBSTQYSYQQFFL-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.68
Rot. Bonds2

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate (PubChem CID 7915873) has the molecular formula C13H15N3OS3 and a molecular weight of 325.48 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate
PubChem CID7915873
Molecular FormulaC13H15N3OS3
Molecular Weight325.48 g/mol
Exact Mass325.04
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate
SMILESCc1csc2nc(CSC(=S)N3CCCC3)cc(=O)n12
InChIInChI=1S/C13H15N3OS3/c1-9-7-19-12-14-10(6-11(17)16(9)12)8-20-13(18)15-4-2-3-5-15/h6-7H,2-5,8H2,1H3
InChIKeyFEBSTQYSYQQFFL-UHFFFAOYSA-N
XLogP2.68
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate (CID 7915873) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate is Cc1csc2nc(CSC(=S)N3CCCC3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate?
The InChIKey is FEBSTQYSYQQFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS3/c1-9-7-19-12-14-10(6-11(17)16(9)12)8-20-13(18)15-4-2-3-5-15/h6-7H,2-5,8H2,1H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate has a molecular weight of 325.48 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 7915873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).