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

C7H6N2OS — CID 597065

IUPAC7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C7H6N2OS/c1-5-4-6(10)9-2-3-11-7(9)8-5/h2-4H,1H3
InChIKeyXMDSWVYUSVIUCD-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.06
Rot. Bonds

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

7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 597065) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID597065
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C7H6N2OS/c1-5-4-6(10)9-2-3-11-7(9)8-5/h2-4H,1H3
InChIKeyXMDSWVYUSVIUCD-UHFFFAOYSA-N
XLogP1.06
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
7-(Chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2063597
5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-bromo-7-methyl-
CID 1417404
4(3H)-Pyrimidinone, 3,6-dimethyl-2-(methylthio)-
CID 12295356
6-chloro-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 1227112
5H-Thiazolo(3,2-a)pyrimidin-5-one
CID 354784
7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 641854
7H-Thiazolo(3,2-a)pyrimidin-7-one
CID 21852852
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
Methyl-5h-thiazolo[3,2-a]-pyrimidin-5-one
CID 102406333

Frequently Asked Questions

What is the IUPAC name of 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 597065) is 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XMDSWVYUSVIUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-5-4-6(10)9-2-3-11-7(9)8-5/h2-4H,1H3.
What are the key properties of 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 166.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 597065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).