(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate

C15H11N3O5S — CID 46605544

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C15H11N3O5S/c1-8(19)16-15-17-11(6-24-15)14(22)23-7-18-12(20)9-4-2-3-5-10(9)13(18)21/h2-6H,7H2,1H3,(H,16,17,19)
InChIKeyZNVIIDRQDRBQHE-UHFFFAOYSA-N
MW345.34 g/mol
LogP1.51
Rot. Bonds4

About (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate

(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46605544) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46605544
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C15H11N3O5S/c1-8(19)16-15-17-11(6-24-15)14(22)23-7-18-12(20)9-4-2-3-5-10(9)13(18)21/h2-6H,7H2,1H3,(H,16,17,19)
InChIKeyZNVIIDRQDRBQHE-UHFFFAOYSA-N
XLogP1.51
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51146422
(2-acetamido-1,3-thiazol-4-yl)methyl 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188985
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605080
(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604902
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605610
ethyl 2-[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-1,3-thiazole-4-carboxylate
CID 52904818
N-[4-[2-[5-[(1,3-dioxoisoindol-2-yl)methyl]thiophen-2-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87743192
[2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 75404025
(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate
CID 60502125
hexa-2,4-dienyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 110876881
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605532
ethyl 2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 47006872

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate (CID 46605544) is (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate is CC(=O)Nc1nc(C(=O)OCN2C(=O)c3ccccc3C2=O)cs1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is ZNVIIDRQDRBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S/c1-8(19)16-15-17-11(6-24-15)14(22)23-7-18-12(20)9-4-2-3-5-10(9)13(18)21/h2-6H,7H2,1H3,(H,16,17,19).
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate?
(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 345.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46605544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).