2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C21H24N4O2S — CID 133277029

IUPAC2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CC=C(c4ccccc4OCC)CC3)sc2n1
InChIInChI=1S/C21H24N4O2S/c1-3-7-16-14-19(26)25-20(22-16)28-21(23-25)24-12-10-15(11-13-24)17-8-5-6-9-18(17)27-4-2/h5-6,8-10,14H,3-4,7,11-13H2,1-2H3
InChIKeyMRAMBFPXPHMLIT-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133277029) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133277029
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CC=C(c4ccccc4OCC)CC3)sc2n1
InChIInChI=1S/C21H24N4O2S/c1-3-7-16-14-19(26)25-20(22-16)28-21(23-25)24-12-10-15(11-13-24)17-8-5-6-9-18(17)27-4-2/h5-6,8-10,14H,3-4,7,11-13H2,1-2H3
InChIKeyMRAMBFPXPHMLIT-UHFFFAOYSA-N
XLogP3.80
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133277029) is 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N3CC=C(c4ccccc4OCC)CC3)sc2n1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MRAMBFPXPHMLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-3-7-16-14-19(26)25-20(22-16)28-21(23-25)24-12-10-15(11-13-24)17-8-5-6-9-18(17)27-4-2/h5-6,8-10,14H,3-4,7,11-13H2,1-2H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 396.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133277029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).