2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C7H7N3OS — CID 132588390

IUPAC2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(C)nc2c(=O)[nH]1
InChIInChI=1S/C7H7N3OS/c1-3-8-6(11)5-7(9-3)12-4(2)10-5/h1-2H3,(H,8,9,11)
InChIKeyRDCHNLXVVKTAJQ-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.00
Rot. Bonds

About 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 132588390) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID132588390
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(C)nc2c(=O)[nH]1
InChIInChI=1S/C7H7N3OS/c1-3-8-6(11)5-7(9-3)12-4(2)10-5/h1-2H3,(H,8,9,11)
InChIKeyRDCHNLXVVKTAJQ-UHFFFAOYSA-N
XLogP1.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027
ethyl 2-methyl-7-oxo-6H-[1,3]thiazolo[5,4-d]pyrimidine-5-carboxylate
CID 59298245
5-methyl-2-[4-(trifluoromethyl)phenyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733029
2,4-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
CID 163626605
4,11,13-trimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 135428299
2,7-dimethyl-3H-pteridin-4-one
CID 135822589
3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 142226184
6-bromo-2-methyl-3H-pteridin-4-one
CID 136981391
2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one
CID 149062893
2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 3444461
5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82097101
2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167649

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 132588390) is 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1nc2sc(C)nc2c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is RDCHNLXVVKTAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-3-8-6(11)5-7(9-3)12-4(2)10-5/h1-2H3,(H,8,9,11).
What are the key properties of 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 181.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 132588390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).