2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione

C14H12N2O2S2 — CID 2532818

IUPAC2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione
SMILESCc1csc(SCCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C14H12N2O2S2/c1-9-8-20-14(15-9)19-7-6-16-12(17)10-4-2-3-5-11(10)13(16)18/h2-5,8H,6-7H2,1H3
InChIKeyISAUGXWKBPULRV-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.84
Rot. Bonds4

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

2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione (PubChem CID 2532818) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione
PubChem CID2532818
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione
SMILESCc1csc(SCCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C14H12N2O2S2/c1-9-8-20-14(15-9)19-7-6-16-12(17)10-4-2-3-5-11(10)13(16)18/h2-5,8H,6-7H2,1H3
InChIKeyISAUGXWKBPULRV-UHFFFAOYSA-N
XLogP2.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-Phenyl-1,3-thiazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 604477
2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1482048
2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473045
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
3-((1,3-Dioxoisoindolin-2-yl)methyl)-7-methyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium iodide
CID 665167
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1473461
2-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473490
2-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473492
(Z)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(4-fluorophenyl)-2-propenenitrile
CID 11958787
[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 5151446
2-[2-[2-(3-Fluorophenyl)-4-thiazolyl]ethyl]isoindole-1,3-dione
CID 1473493
(Z)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]-2-propenenitrile
CID 11958786

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione (CID 2532818) is 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione is Cc1csc(SCCN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione?
The InChIKey is ISAUGXWKBPULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-9-8-20-14(15-9)19-7-6-16-12(17)10-4-2-3-5-11(10)13(16)18/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione?
2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione has a molecular weight of 304.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 2532818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).