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

C7H8N2OS — CID 3371193

IUPAC5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(=O)nc2n1CCS2
InChIInChI=1S/C7H8N2OS/c1-5-4-6(10)8-7-9(5)2-3-11-7/h4H,2-3H2,1H3
InChIKeyNDAITGNAKRASOD-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.66
Rot. Bonds

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

5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 3371193) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID3371193
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(=O)nc2n1CCS2
InChIInChI=1S/C7H8N2OS/c1-5-4-6(10)8-7-9(5)2-3-11-7/h4H,2-3H2,1H3
InChIKeyNDAITGNAKRASOD-UHFFFAOYSA-N
XLogP0.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 641854
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N,N-diethylcarbamodithioate
CID 8891253
3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 15046473
2,7-Dimethyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22434125
3,7-Dimethyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine
CID 86221258
2,3-Dihydro-7-(trifluoromethyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 17122085
2-Methyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156409815
1,6-Dimethyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 263011
3-Iodomethyl-5-methyl-7-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine
CID 14940029
7-Methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-3(2h)-one
CID 53762155
3,5-Dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 85781852

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 3371193) is 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one is Cc1cc(=O)nc2n1CCS2.
What is the InChIKey of 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is NDAITGNAKRASOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5-4-6(10)8-7-9(5)2-3-11-7/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 168.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 3371193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).