7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile

C11H12N4OS — CID 144826116

IUPAC7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
SMILESCCNCc1cc(=O)n2c(C#N)c(C)sc2n1
InChIInChI=1S/C11H12N4OS/c1-3-13-6-8-4-10(16)15-9(5-12)7(2)17-11(15)14-8/h4,13H,3,6H2,1-2H3
InChIKeyCFYDHMDWRSVJSH-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.05
Rot. Bonds3

About 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile

7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile (PubChem CID 144826116) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
PubChem CID144826116
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
SMILESCCNCc1cc(=O)n2c(C#N)c(C)sc2n1
InChIInChI=1S/C11H12N4OS/c1-3-13-6-8-4-10(16)15-9(5-12)7(2)17-11(15)14-8/h4,13H,3,6H2,1-2H3
InChIKeyCFYDHMDWRSVJSH-UHFFFAOYSA-N
XLogP1.05
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 144826048
3-Methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43090473
2-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetonitrile
CID 51099956
7-[[2-Aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55103506
7-[[2-Aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62686087
3-Methyl-7-[[methyl-[2-(methylamino)ethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 64081915
7-[[Methyl-[2-(methylamino)ethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 64082569
7-[[Azetidin-3-yl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66181615
7-[[Azetidin-3-yl(ethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66183038
N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 78826580
1-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-2-carbonitrile
CID 79086339
3-Methyl-7-[[methyl-[3-(methylamino)propyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 80398092

Frequently Asked Questions

What is the IUPAC name of 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile (CID 144826116) is 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile is CCNCc1cc(=O)n2c(C#N)c(C)sc2n1.
What is the InChIKey of 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The InChIKey is CFYDHMDWRSVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-3-13-6-8-4-10(16)15-9(5-12)7(2)17-11(15)14-8/h4,13H,3,6H2,1-2H3.
What are the key properties of 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile has a molecular weight of 248.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 144826116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).