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

C14H21N3O2S — CID 60689373

IUPAC7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCN(CCO)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C14H21N3O2S/c1-3-4-5-16(6-7-18)9-12-8-13(19)17-11(2)10-20-14(17)15-12/h8,10,18H,3-7,9H2,1-2H3
InChIKeyGUOXSPWYTJSXML-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.66
Rot. Bonds7

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

7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60689373) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID60689373
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCN(CCO)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C14H21N3O2S/c1-3-4-5-16(6-7-18)9-12-8-13(19)17-11(2)10-20-14(17)15-12/h8,10,18H,3-7,9H2,1-2H3
InChIKeyGUOXSPWYTJSXML-UHFFFAOYSA-N
XLogP1.66
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 60689373) is 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCN(CCO)Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GUOXSPWYTJSXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-4-5-16(6-7-18)9-12-8-13(19)17-11(2)10-20-14(17)15-12/h8,10,18H,3-7,9H2,1-2H3.
What are the key properties of 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 295.41 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[butyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60689373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).