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

C16H10N2O2S2 — CID 2811182

IUPAC2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C16H10N2O2S2/c19-15-11-4-1-2-5-12(11)16(20)18(15)8-10-9-22-14(17-10)13-6-3-7-21-13/h1-7,9H,8H2
InChIKeyIAJDPLVEAODVRN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.67
Rot. Bonds3

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

2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione (PubChem CID 2811182) has the molecular formula C16H10N2O2S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
PubChem CID2811182
Molecular FormulaC16H10N2O2S2
Molecular Weight326.40 g/mol
Exact Mass326.02
IUPAC Name2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C16H10N2O2S2/c19-15-11-4-1-2-5-12(11)16(20)18(15)8-10-9-22-14(17-10)13-6-3-7-21-13/h1-7,9H,8H2
InChIKeyIAJDPLVEAODVRN-UHFFFAOYSA-N
XLogP3.67
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.67
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-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 980050
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
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
2-[2-[2,5-Dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dione
CID 2998745
(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
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 54773766
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 127047450
2-{2-[4-(4-phenyl-1,3-thiazol-2-yl)-1-piperazinyl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1250551

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione (CID 2811182) is 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1csc(-c2cccs2)n1.
What is the InChIKey of 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is IAJDPLVEAODVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S2/c19-15-11-4-1-2-5-12(11)16(20)18(15)8-10-9-22-14(17-10)13-6-3-7-21-13/h1-7,9H,8H2.
What are the key properties of 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 326.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2811182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).