2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C20H22ClN5O2S — CID 133324820

IUPAC2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CCN(C(=O)Cc4cccc(Cl)c4)CC3)sc2n1
InChIInChI=1S/C20H22ClN5O2S/c1-2-4-16-13-18(28)26-19(22-16)29-20(23-26)25-9-7-24(8-10-25)17(27)12-14-5-3-6-15(21)11-14/h3,5-6,11,13H,2,4,7-10,12H2,1H3
InChIKeyXUVPMPPGBUHFBO-UHFFFAOYSA-N
MW431.95 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133324820) has the molecular formula C20H22ClN5O2S and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133324820
Molecular FormulaC20H22ClN5O2S
Molecular Weight431.95 g/mol
Exact Mass431.12
IUPAC Name2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CCN(C(=O)Cc4cccc(Cl)c4)CC3)sc2n1
InChIInChI=1S/C20H22ClN5O2S/c1-2-4-16-13-18(28)26-19(22-16)29-20(23-26)25-9-7-24(8-10-25)17(27)12-14-5-3-6-15(21)11-14/h3,5-6,11,13H,2,4,7-10,12H2,1H3
InChIKeyXUVPMPPGBUHFBO-UHFFFAOYSA-N
XLogP2.65
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-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

Related Compounds

2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86879071
2-(4-methoxypiperidin-1-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013623
2-(3-chlorophenyl)-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158717
N-butan-2-yl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20893297
7-ethyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86879035
2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 133324787
2-(3-chlorophenyl)-1-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]ethanone
CID 53198339
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133431634
2-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133309031
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-ylethanone
CID 16849457
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133338426
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133324820) is 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N3CCN(C(=O)Cc4cccc(Cl)c4)CC3)sc2n1.
What is the InChIKey of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XUVPMPPGBUHFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2S/c1-2-4-16-13-18(28)26-19(22-16)29-20(23-26)25-9-7-24(8-10-25)17(27)12-14-5-3-6-15(21)11-14/h3,5-6,11,13H,2,4,7-10,12H2,1H3.
What are the key properties of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 431.95 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133324820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).