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

C9H11N3OS — CID 137274403

IUPAC3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2snc(CC)c2c(=O)[nH]1
InChIInChI=1S/C9H11N3OS/c1-3-5-7-8(13)10-6(4-2)11-9(7)14-12-5/h3-4H2,1-2H3,(H,10,11,13)
InChIKeyMALPZQGRMNTUAW-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.50
Rot. Bonds2

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

3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 137274403) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID137274403
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2snc(CC)c2c(=O)[nH]1
InChIInChI=1S/C9H11N3OS/c1-3-5-7-8(13)10-6(4-2)11-9(7)14-12-5/h3-4H2,1-2H3,(H,10,11,13)
InChIKeyMALPZQGRMNTUAW-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-diethyl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
CID 137270080
2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 57164201
6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
CID 154103518
2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane
CID 145287057
5-acetyl-2,4-diethyl-1H-pyrimidin-6-one
CID 135837139
ethyl 2-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxylate
CID 82338161
5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868331
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
CID 158824343
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
2-phenoxyethyl 2-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28868337
6-chloro-2-ethyl-5-ethynyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155463685
4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
CID 143553883

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 137274403) is 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one is CCc1nc2snc(CC)c2c(=O)[nH]1.
What is the InChIKey of 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MALPZQGRMNTUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-5-7-8(13)10-6(4-2)11-9(7)14-12-5/h3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 209.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137274403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).