1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione

C17H18N2O2S — CID 55921814

IUPAC1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(-c2csc(CN3C(=O)CCC3=O)n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-11(2)12-3-5-13(6-4-12)14-10-22-15(18-14)9-19-16(20)7-8-17(19)21/h3-6,10-11H,7-9H2,1-2H3
InChIKeyVCSOYPOQYHXYFF-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.58
Rot. Bonds4

About 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione

1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 55921814) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
PubChem CID55921814
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(-c2csc(CN3C(=O)CCC3=O)n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-11(2)12-3-5-13(6-4-12)14-10-22-15(18-14)9-19-16(20)7-8-17(19)21/h3-6,10-11H,7-9H2,1-2H3
InChIKeyVCSOYPOQYHXYFF-UHFFFAOYSA-N
XLogP3.58
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
CID 55921685
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103497
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 71691474
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110393720
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid
CID 141124885
2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
CID 52988773
2-(2-oxopyrrolidin-1-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 134702730
2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetic acid;hydrochloride
CID 68647651
N-tert-butyl-2-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9173781

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione (CID 55921814) is 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione is CC(C)c1ccc(-c2csc(CN3C(=O)CCC3=O)n2)cc1.
What is the InChIKey of 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is VCSOYPOQYHXYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11(2)12-3-5-13(6-4-12)14-10-22-15(18-14)9-19-16(20)7-8-17(19)21/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione?
1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 314.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55921814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).