N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide

C13H16N2OS2 — CID 857972

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2cccs2)n1
InChIInChI=1S/C13H16N2OS2/c1-13(2,3)10-8-18-12(14-10)15-11(16)7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,14,15,16)
InChIKeyLKEGVYYQNNMMEA-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.68
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 857972) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID857972
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2cccs2)n1
InChIInChI=1S/C13H16N2OS2/c1-13(2,3)10-8-18-12(14-10)15-11(16)7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,14,15,16)
InChIKeyLKEGVYYQNNMMEA-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide (CID 857972) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide is CC(C)(C)c1csc(NC(=O)Cc2cccs2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is LKEGVYYQNNMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-13(2,3)10-8-18-12(14-10)15-11(16)7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 280.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 857972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).