2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione

C19H20N4O3S — CID 9324948

IUPAC2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
SMILESCc1csc(CC(=O)N2CCN(CN3C(=O)c4ccccc4C3=O)CC2)n1
InChIInChI=1S/C19H20N4O3S/c1-13-11-27-16(20-13)10-17(24)22-8-6-21(7-9-22)12-23-18(25)14-4-2-3-5-15(14)19(23)26/h2-5,11H,6-10,12H2,1H3
InChIKeyDQJABRZLFNCQCO-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.39
Rot. Bonds4

About 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione

2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 9324948) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
PubChem CID9324948
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
SMILESCc1csc(CC(=O)N2CCN(CN3C(=O)c4ccccc4C3=O)CC2)n1
InChIInChI=1S/C19H20N4O3S/c1-13-11-27-16(20-13)10-17(24)22-8-6-21(7-9-22)12-23-18(25)14-4-2-3-5-15(14)19(23)26/h2-5,11H,6-10,12H2,1H3
InChIKeyDQJABRZLFNCQCO-UHFFFAOYSA-N
XLogP1.39
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 9324997
1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride
CID 121067613
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920
2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40796933
N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide
CID 17432177
1-[4-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 9325087
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
CID 1497777
(3aR,7aR)-2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9325024
(3aR,7aS)-2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9325026
2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9330923
1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 159850532

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione (CID 9324948) is 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione is Cc1csc(CC(=O)N2CCN(CN3C(=O)c4ccccc4C3=O)CC2)n1.
What is the InChIKey of 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is DQJABRZLFNCQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-11-27-16(20-13)10-17(24)22-8-6-21(7-9-22)12-23-18(25)14-4-2-3-5-15(14)19(23)26/h2-5,11H,6-10,12H2,1H3.
What are the key properties of 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione?
2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 384.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 9324948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).