N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide

C19H12N2OS2 — CID 44919364

IUPACN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc2c(s1)-c1cccc3cccc-2c13
InChIInChI=1S/C19H12N2OS2/c22-15(10-12-6-3-9-23-12)20-19-21-17-13-7-1-4-11-5-2-8-14(16(11)13)18(17)24-19/h1-9H,10H2,(H,20,21,22)
InChIKeyIMIQEHZTRSRBKL-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.19
Rot. Bonds3

About N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide (PubChem CID 44919364) has the molecular formula C19H12N2OS2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide
PubChem CID44919364
Molecular FormulaC19H12N2OS2
Molecular Weight348.45 g/mol
Exact Mass348.04
IUPAC NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc2c(s1)-c1cccc3cccc-2c13
InChIInChI=1S/C19H12N2OS2/c22-15(10-12-6-3-9-23-12)20-19-21-17-13-7-1-4-11-5-2-8-14(16(11)13)18(17)24-19/h1-9H,10H2,(H,20,21,22)
InChIKeyIMIQEHZTRSRBKL-UHFFFAOYSA-N
XLogP5.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide?
The IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide (CID 44919364) is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nc2c(s1)-c1cccc3cccc-2c13.
What is the InChIKey of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide?
The InChIKey is IMIQEHZTRSRBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2OS2/c22-15(10-12-6-3-9-23-12)20-19-21-17-13-7-1-4-11-5-2-8-14(16(11)13)18(17)24-19/h1-9H,10H2,(H,20,21,22).
What are the key properties of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide?
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide has a molecular weight of 348.45 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 44919364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).