N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide

C15H13N3O3S — CID 1473044

IUPACN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C15H13N3O3S/c1-9(19)16-15-17-10(8-22-15)6-7-18-13(20)11-4-2-3-5-12(11)14(18)21/h2-5,8H,6-7H2,1H3,(H,16,17,19)
InChIKeyGTFRVQSNLRXMFJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.94
Rot. Bonds4

About N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 1473044) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID1473044
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C15H13N3O3S/c1-9(19)16-15-17-10(8-22-15)6-7-18-13(20)11-4-2-3-5-12(11)14(18)21/h2-5,8H,6-7H2,1H3,(H,16,17,19)
InChIKeyGTFRVQSNLRXMFJ-UHFFFAOYSA-N
XLogP1.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide (CID 1473044) is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1.
What is the InChIKey of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GTFRVQSNLRXMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9(19)16-15-17-10(8-22-15)6-7-18-13(20)11-4-2-3-5-12(11)14(18)21/h2-5,8H,6-7H2,1H3,(H,16,17,19).
What are the key properties of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1473044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).