7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C19H24N4O2S — CID 50803527

IUPAC7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C)sc2n1
InChIInChI=1S/C19H24N4O2S/c1-4-10-22(12-15-6-8-17(9-7-15)25-5-2)13-16-11-18(24)23-19(20-16)26-14(3)21-23/h6-9,11H,4-5,10,12-13H2,1-3H3
InChIKeySUBZOGLSARXDTL-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.27
Rot. Bonds8

About 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 50803527) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID50803527
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C)sc2n1
InChIInChI=1S/C19H24N4O2S/c1-4-10-22(12-15-6-8-17(9-7-15)25-5-2)13-16-11-18(24)23-19(20-16)26-14(3)21-23/h6-9,11H,4-5,10,12-13H2,1-3H3
InChIKeySUBZOGLSARXDTL-UHFFFAOYSA-N
XLogP3.27
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclohexyl-7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803592
7-[[(4-methylphenyl)methyl-propylamino]methyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803650
2-cyclopropyl-7-[[(4-methylphenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803617
2-ethyl-7-[[(4-propan-2-ylphenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803467
7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357933
2-cyclopropyl-7-[[ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803589
7-[[benzyl(propyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357792
2-ethyl-7-[[2-methoxyethyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803625
4-[[(4-ethoxyphenyl)methyl-ethylamino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137313982
7-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803711
7-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-2-cyclopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803366
7-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803613

Frequently Asked Questions

What is the IUPAC name of 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 50803527) is 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C)sc2n1.
What is the InChIKey of 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SUBZOGLSARXDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-4-10-22(12-15-6-8-17(9-7-15)25-5-2)13-16-11-18(24)23-19(20-16)26-14(3)21-23/h6-9,11H,4-5,10,12-13H2,1-3H3.
What are the key properties of 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 372.49 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 50803527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).