N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C21H25N3O2S — CID 40509205

IUPACN-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NC4CCCCC4)csc3n2)cc1
InChIInChI=1S/C21H25N3O2S/c1-2-26-18-10-8-15(9-11-18)19-13-24-17(14-27-21(24)23-19)12-20(25)22-16-6-4-3-5-7-16/h8-11,13-14,16H,2-7,12H2,1H3,(H,22,25)
InChIKeyIBSOQVVAWLMWSZ-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.45
Rot. Bonds6

About N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 40509205) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID40509205
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NC4CCCCC4)csc3n2)cc1
InChIInChI=1S/C21H25N3O2S/c1-2-26-18-10-8-15(9-11-18)19-13-24-17(14-27-21(24)23-19)12-20(25)22-16-6-4-3-5-7-16/h8-11,13-14,16H,2-7,12H2,1H3,(H,22,25)
InChIKeyIBSOQVVAWLMWSZ-UHFFFAOYSA-N
XLogP4.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 40509205) is N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NC4CCCCC4)csc3n2)cc1.
What is the InChIKey of N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is IBSOQVVAWLMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-2-26-18-10-8-15(9-11-18)19-13-24-17(14-27-21(24)23-19)12-20(25)22-16-6-4-3-5-7-16/h8-11,13-14,16H,2-7,12H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 383.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 40509205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).