2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione

C16H12N4O2S — CID 69032684

IUPAC2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C16H12N4O2S/c21-15-11-3-1-2-4-12(11)16(22)20(15)8-6-10-9-23-14(18-10)13-5-7-17-19-13/h1-5,7,9H,6,8H2,(H,17,19)
InChIKeySXHUVGCAIKZGMR-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.37
Rot. Bonds4

About 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione

2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione (PubChem CID 69032684) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
PubChem CID69032684
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C16H12N4O2S/c21-15-11-3-1-2-4-12(11)16(22)20(15)8-6-10-9-23-14(18-10)13-5-7-17-19-13/h1-5,7,9H,6,8H2,(H,17,19)
InChIKeySXHUVGCAIKZGMR-UHFFFAOYSA-N
XLogP2.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889202
(2S)-N-[2-oxo-5-(1H-pyrazol-5-yl)-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 136232856
2-(3-oxo-1H-isoindol-2-yl)-2-(1H-pyrazol-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 168296597
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961
3-methyl-1-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one
CID 168276413
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 70749861
4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]piperidine
CID 70756261
1-benzyl-N-methyl-5-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138396
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 44086037
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 56719499
N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 56888072
N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71710287

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione (CID 69032684) is 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1csc(-c2ccn[nH]2)n1.
What is the InChIKey of 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The InChIKey is SXHUVGCAIKZGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-15-11-3-1-2-4-12(11)16(22)20(15)8-6-10-9-23-14(18-10)13-5-7-17-19-13/h1-5,7,9H,6,8H2,(H,17,19).
What are the key properties of 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione has a molecular weight of 324.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 69032684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).