N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide

C17H17N3O3S — CID 155946342

IUPACN-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C17H17N3O3S/c1-2-14-19-10-13(24-14)15(21)18-8-5-9-20-16(22)11-6-3-4-7-12(11)17(20)23/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,21)
InChIKeyWCBOAIJMELBRET-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.12
Rot. Bonds6

About N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 155946342) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID155946342
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C17H17N3O3S/c1-2-14-19-10-13(24-14)15(21)18-8-5-9-20-16(22)11-6-3-4-7-12(11)17(20)23/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,21)
InChIKeyWCBOAIJMELBRET-UHFFFAOYSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 155946342) is N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCCN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WCBOAIJMELBRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-14-19-10-13(24-14)15(21)18-8-5-9-20-16(22)11-6-3-4-7-12(11)17(20)23/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,21).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155946342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).