N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C15H21N3O2S — CID 126773652

IUPACN-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCOC1CC(CCNC(=O)Cc2cn3ccsc3n2)C1
InChIInChI=1S/C15H21N3O2S/c1-2-20-13-7-11(8-13)3-4-16-14(19)9-12-10-18-5-6-21-15(18)17-12/h5-6,10-11,13H,2-4,7-9H2,1H3,(H,16,19)
InChIKeyXGBIURYRZJXXRD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 126773652) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID126773652
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCOC1CC(CCNC(=O)Cc2cn3ccsc3n2)C1
InChIInChI=1S/C15H21N3O2S/c1-2-20-13-7-11(8-13)3-4-16-14(19)9-12-10-18-5-6-21-15(18)17-12/h5-6,10-11,13H,2-4,7-9H2,1H3,(H,16,19)
InChIKeyXGBIURYRZJXXRD-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 126773652) is N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CCOC1CC(CCNC(=O)Cc2cn3ccsc3n2)C1.
What is the InChIKey of N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is XGBIURYRZJXXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-20-13-7-11(8-13)3-4-16-14(19)9-12-10-18-5-6-21-15(18)17-12/h5-6,10-11,13H,2-4,7-9H2,1H3,(H,16,19).
What are the key properties of N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 307.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 126773652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).