7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide

C18H19N3O3S — CID 3148603

IUPAC7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
SMILESO=C(CCCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
InChIInChI=1S/C18H19N3O3S/c22-15(20-18-19-10-12-25-18)9-3-1-2-6-11-21-16(23)13-7-4-5-8-14(13)17(21)24/h4-5,7-8,10,12H,1-3,6,9,11H2,(H,19,20,22)
InChIKeyIYRRJICBBVMPOU-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.33
Rot. Bonds8

About 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide

7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide (PubChem CID 3148603) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide.

Molecular Properties

Compound Name7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
PubChem CID3148603
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
SMILESO=C(CCCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1
InChIInChI=1S/C18H19N3O3S/c22-15(20-18-19-10-12-25-18)9-3-1-2-6-11-21-16(23)13-7-4-5-8-14(13)17(21)24/h4-5,7-8,10,12H,1-3,6,9,11H2,(H,19,20,22)
InChIKeyIYRRJICBBVMPOU-UHFFFAOYSA-N
XLogP3.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)hexanamide
CID 3111817
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)hexanamide
CID 6203272
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(1,3-thiazol-2-yl)hexanamide
CID 99987862
6-[(5Z)-5-(anthracen-9-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)hexanamide
CID 16631224
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 8777159
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 66491223
4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 1346778
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
CID 19405045
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19197319

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide?
The IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide (CID 3148603) is 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide.
What is the SMILES notation for 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide?
The canonical SMILES for 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide is O=C(CCCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1.
What is the InChIKey of 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide?
The InChIKey is IYRRJICBBVMPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-15(20-18-19-10-12-25-18)9-3-1-2-6-11-21-16(23)13-7-4-5-8-14(13)17(21)24/h4-5,7-8,10,12H,1-3,6,9,11H2,(H,19,20,22).
What are the key properties of 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide?
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide has a molecular weight of 357.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide is sourced from PubChem (CID 3148603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).