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

C14H20N4OS — CID 106615510

IUPAC7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2ccsc2n1)CC1CCCN1
InChIInChI=1S/C14H20N4OS/c1-2-17(9-11-4-3-5-15-11)10-12-8-13(19)18-6-7-20-14(18)16-12/h6-8,11,15H,2-5,9-10H2,1H3
InChIKeyHNPAOLXVVZDIQN-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.33
Rot. Bonds5

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

7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 106615510) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID106615510
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2ccsc2n1)CC1CCCN1
InChIInChI=1S/C14H20N4OS/c1-2-17(9-11-4-3-5-15-11)10-12-8-13(19)18-6-7-20-14(18)16-12/h6-8,11,15H,2-5,9-10H2,1H3
InChIKeyHNPAOLXVVZDIQN-UHFFFAOYSA-N
XLogP1.33
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
7-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51655644
7-[(N-ethyl-4-fluoroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 141442091
7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135520073
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615024
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136768010
7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62686087
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632392
7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655248
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267

Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 106615510) is 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(Cc1cc(=O)n2ccsc2n1)CC1CCCN1.
What is the InChIKey of 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HNPAOLXVVZDIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-17(9-11-4-3-5-15-11)10-12-8-13(19)18-6-7-20-14(18)16-12/h6-8,11,15H,2-5,9-10H2,1H3.
What are the key properties of 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 106615510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).