7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C7H6N2OS2 — CID 14319839

IUPAC7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCSc1cc(=O)n2ccsc2n1
InChIInChI=1S/C7H6N2OS2/c1-11-5-4-6(10)9-2-3-12-7(9)8-5/h2-4H,1H3
InChIKeyWFWOWPRJYLLYLK-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.48
Rot. Bonds1

About 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 14319839) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID14319839
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCSc1cc(=O)n2ccsc2n1
InChIInChI=1S/C7H6N2OS2/c1-11-5-4-6(10)9-2-3-12-7(9)8-5/h2-4H,1H3
InChIKeyWFWOWPRJYLLYLK-UHFFFAOYSA-N
XLogP1.48
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
3-Methyl-2-(methylthio)-4(3H)-pyrimidinone
CID 138727
7H-Thiazolo(3,2-a)pyrimidin-7-one, 5-(diethylamino)-
CID 3064609
5H-Thiazolo(3,2-a)pyrimidin-5-one
CID 354784
2,3-Dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 641898
7H-Thiazolo(3,2-a)pyrimidin-7-one
CID 21852852
5-hydroxy-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 135456273
2-Methyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 259155
5-amino-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 146050234
2-(Ethylthio)-3-methyl-4-pyrimidone
CID 129660839
3-Ethyl-2-(ethylsulfanyl)pyrimidin-4(3H)-one
CID 12808415
6-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 11367200

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 14319839) is 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CSc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WFWOWPRJYLLYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c1-11-5-4-6(10)9-2-3-12-7(9)8-5/h2-4H,1H3.
What are the key properties of 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 198.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 14319839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).