2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione

C23H25N3O3S — CID 56579447

IUPAC2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C23H25N3O3S/c27-21(25-11-4-5-16(14-25)20-24-10-12-30-20)15-8-9-18-19(13-15)23(29)26(22(18)28)17-6-2-1-3-7-17/h8-10,12-13,16-17H,1-7,11,14H2
InChIKeyMBLJWHZSPOPDRK-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.09
Rot. Bonds3

About 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione

2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione (PubChem CID 56579447) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione
PubChem CID56579447
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C23H25N3O3S/c27-21(25-11-4-5-16(14-25)20-24-10-12-30-20)15-8-9-18-19(13-15)23(29)26(22(18)28)17-6-2-1-3-7-17/h8-10,12-13,16-17H,1-7,11,14H2
InChIKeyMBLJWHZSPOPDRK-UHFFFAOYSA-N
XLogP4.09
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.09
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-cyclohexyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 1369561
5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride
CID 119373915
[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 125006902
methyl 4-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)piperazine-1-carboxylate
CID 108568364
5-[4-(2-chloroacetyl)piperazine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione
CID 108568370
2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532831
1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119284
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532917
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione;hydrochloride
CID 119631915
5-[4-(3-chloropropanoyl)piperazine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione
CID 108568363
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione (CID 56579447) is 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCCC(c2nccs2)C1.
What is the InChIKey of 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione?
The InChIKey is MBLJWHZSPOPDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-21(25-11-4-5-16(14-25)20-24-10-12-30-20)15-8-9-18-19(13-15)23(29)26(22(18)28)17-6-2-1-3-7-17/h8-10,12-13,16-17H,1-7,11,14H2.
What are the key properties of 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione?
2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione has a molecular weight of 423.54 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 56579447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).