2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C20H23N5O2S — CID 20939048

IUPAC2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)n3nc(C4CC4)sc3n2)CC1
InChIInChI=1S/C20H23N5O2S/c1-27-17-5-3-2-4-16(17)24-10-8-23(9-11-24)13-15-12-18(26)25-20(21-15)28-19(22-25)14-6-7-14/h2-5,12,14H,6-11,13H2,1H3
InChIKeyHESLJCDWUHXILA-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.36
Rot. Bonds5

About 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20939048) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20939048
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)n3nc(C4CC4)sc3n2)CC1
InChIInChI=1S/C20H23N5O2S/c1-27-17-5-3-2-4-16(17)24-10-8-23(9-11-24)13-15-12-18(26)25-20(21-15)28-19(22-25)14-6-7-14/h2-5,12,14H,6-11,13H2,1H3
InChIKeyHESLJCDWUHXILA-UHFFFAOYSA-N
XLogP2.36
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[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

7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46827842
2-cyclopropyl-7-[[ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803589
7-[[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]methyl]-2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803176
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 43216810
2-(2-methoxyphenyl)-7-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803061
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160777
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133315722
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
2-[(4-chlorophenyl)methylamino]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 146052240
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20939048) is 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is COc1ccccc1N1CCN(Cc2cc(=O)n3nc(C4CC4)sc3n2)CC1.
What is the InChIKey of 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HESLJCDWUHXILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-27-17-5-3-2-4-16(17)24-10-8-23(9-11-24)13-15-12-18(26)25-20(21-15)28-19(22-25)14-6-7-14/h2-5,12,14H,6-11,13H2,1H3.
What are the key properties of 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 397.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20939048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).