2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide

C13H12N4OS2 — CID 5143876

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)Cc1cn2ccsc2n1)c1cccs1
InChIInChI=1S/C13H12N4OS2/c1-9(11-3-2-5-19-11)15-16-12(18)7-10-8-17-4-6-20-13(17)14-10/h2-6,8H,7H2,1H3,(H,16,18)
InChIKeyGVCUANQHFDPVBW-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.54
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide (PubChem CID 5143876) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
PubChem CID5143876
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)Cc1cn2ccsc2n1)c1cccs1
InChIInChI=1S/C13H12N4OS2/c1-9(11-3-2-5-19-11)15-16-12(18)7-10-8-17-4-6-20-13(17)14-10/h2-6,8H,7H2,1H3,(H,16,18)
InChIKeyGVCUANQHFDPVBW-UHFFFAOYSA-N
XLogP2.54
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide (CID 5143876) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide is CC(=NNC(=O)Cc1cn2ccsc2n1)c1cccs1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide?
The InChIKey is GVCUANQHFDPVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-9(11-3-2-5-19-11)15-16-12(18)7-10-8-17-4-6-20-13(17)14-10/h2-6,8H,7H2,1H3,(H,16,18).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide has a molecular weight of 304.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide is sourced from PubChem (CID 5143876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).