7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H15N3O2S — CID 43074730

IUPAC7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(CCO)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H15N3O2S/c1-2-13(3-5-15)8-9-7-10(16)14-4-6-17-11(14)12-9/h4,6-7,15H,2-3,5,8H2,1H3
InChIKeyMJFUKUWQCGCHTO-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.57
Rot. Bonds5

About 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 43074730) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID43074730
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(CCO)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H15N3O2S/c1-2-13(3-5-15)8-9-7-10(16)14-4-6-17-11(14)12-9/h4,6-7,15H,2-3,5,8H2,1H3
InChIKeyMJFUKUWQCGCHTO-UHFFFAOYSA-N
XLogP0.57
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(Morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2549305
7-(hydroxymethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13105852
7-[[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60303278
7-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 107485160
7-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 107485475
7-[[Methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 109967554
3-Methyl-7-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 109968237
7-[[3-Hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 111109976
2-Hydroxy-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 117947440
7-(2-Hydroxyethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8306365
8-(2-Hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
CID 10798576
7-Hydroxy-8-(2-hydroxyethyl)-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
CID 10798577

Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 43074730) is 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(CCO)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MJFUKUWQCGCHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-13(3-5-15)8-9-7-10(16)14-4-6-17-11(14)12-9/h4,6-7,15H,2-3,5,8H2,1H3.
What are the key properties of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 253.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 43074730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).