7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C7H6N2OS2 — CID 24689332

IUPAC7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CS)nc2sccn12
InChIInChI=1S/C7H6N2OS2/c10-6-3-5(4-11)8-7-9(6)1-2-12-7/h1-3,11H,4H2
InChIKeyMICDGSUAIPMGJJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.19
Rot. Bonds1

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

7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 24689332) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID24689332
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CS)nc2sccn12
InChIInChI=1S/C7H6N2OS2/c10-6-3-5(4-11)8-7-9(6)1-2-12-7/h1-3,11H,4H2
InChIKeyMICDGSUAIPMGJJ-UHFFFAOYSA-N
XLogP1.19
TPSA34.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
7-(Chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2063597
5H-Thiazolo(3,2-a)pyrimidin-5-one
CID 354784
7-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6468090
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N,N-diethylcarbamodithioate
CID 8891253
2,7-Dimethyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22434125
7-(Trifluoromethyl)-5H-thiazolo[3,2-A]pyrimidin-5-one
CID 118009562
7-(Methylthio)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 14319839
5-methyl-7H-[1,2-a]pyrimidin-7-one
CID 54613743
7-amino-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 11829820
5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde
CID 13105853
7-(Dimethoxyphosphinothioylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13232942

Frequently Asked Questions

What is the IUPAC name of 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 24689332) is 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CS)nc2sccn12.
What is the InChIKey of 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MICDGSUAIPMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c10-6-3-5(4-11)8-7-9(6)1-2-12-7/h1-3,11H,4H2.
What are the key properties of 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 198.27 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 24689332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).