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

C19H23N3O2S — CID 43981543

IUPACN-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NC(C)CC)csc3n2)cc1
InChIInChI=1S/C19H23N3O2S/c1-4-13(3)20-18(23)10-15-12-25-19-21-17(11-22(15)19)14-6-8-16(9-7-14)24-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,20,23)
InChIKeyAMHKJLZSDZVTEE-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.92
Rot. Bonds7

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

N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 43981543) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID43981543
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NC(C)CC)csc3n2)cc1
InChIInChI=1S/C19H23N3O2S/c1-4-13(3)20-18(23)10-15-12-25-19-21-17(11-22(15)19)14-6-8-16(9-7-14)24-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,20,23)
InChIKeyAMHKJLZSDZVTEE-UHFFFAOYSA-N
XLogP3.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 43981543) is N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NC(C)CC)csc3n2)cc1.
What is the InChIKey of N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is AMHKJLZSDZVTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-13(3)20-18(23)10-15-12-25-19-21-17(11-22(15)19)14-6-8-16(9-7-14)24-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,20,23).
What are the key properties of N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 43981543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).