2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide

C24H19N5O5S — CID 108756238

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H19N5O5S/c1-12(2)18(29-22(33)15-9-5-6-10-16(15)23(29)34)19(30)25-24-27-26-17(35-24)11-28-20(31)13-7-3-4-8-14(13)21(28)32/h3-10,12,18H,11H2,1-2H3,(H,25,27,30)
InChIKeyXQIPJFNAOIQACU-UHFFFAOYSA-N
MW489.51 g/mol
LogP2.59
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide

2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide (PubChem CID 108756238) has the molecular formula C24H19N5O5S and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
PubChem CID108756238
Molecular FormulaC24H19N5O5S
Molecular Weight489.51 g/mol
Exact Mass489.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H19N5O5S/c1-12(2)18(29-22(33)15-9-5-6-10-16(15)23(29)34)19(30)25-24-27-26-17(35-24)11-28-20(31)13-7-3-4-8-14(13)21(28)32/h3-10,12,18H,11H2,1-2H3,(H,25,27,30)
InChIKeyXQIPJFNAOIQACU-UHFFFAOYSA-N
XLogP2.59
TPSA129.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 19228295
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108756281
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108756274
2-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3764789
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 108756226
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 108732800
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 108732890
(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide
CID 8927056
4-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 108756210
2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]isoindole-1,3-dione
CID 80613793
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 19165197
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
CID 108766595

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide (CID 108756238) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide is CC(C)C(C(=O)Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The InChIKey is XQIPJFNAOIQACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O5S/c1-12(2)18(29-22(33)15-9-5-6-10-16(15)23(29)34)19(30)25-24-27-26-17(35-24)11-28-20(31)13-7-3-4-8-14(13)21(28)32/h3-10,12,18H,11H2,1-2H3,(H,25,27,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide has a molecular weight of 489.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide is sourced from PubChem (CID 108756238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).