N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C23H21N3O4S — CID 27370367

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCc4ccc5c(c4)OCO5)csc3n2)cc1
InChIInChI=1S/C23H21N3O4S/c1-2-28-18-6-4-16(5-7-18)19-12-26-17(13-31-23(26)25-19)10-22(27)24-11-15-3-8-20-21(9-15)30-14-29-20/h3-9,12-13H,2,10-11,14H2,1H3,(H,24,27)
InChIKeyZFFHQIQNIOZAQX-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.05
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 27370367) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID27370367
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCc4ccc5c(c4)OCO5)csc3n2)cc1
InChIInChI=1S/C23H21N3O4S/c1-2-28-18-6-4-16(5-7-18)19-12-26-17(13-31-23(26)25-19)10-22(27)24-11-15-3-8-20-21(9-15)30-14-29-20/h3-9,12-13H,2,10-11,14H2,1H3,(H,24,27)
InChIKeyZFFHQIQNIOZAQX-UHFFFAOYSA-N
XLogP4.05
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 27370367) is N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCc4ccc5c(c4)OCO5)csc3n2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is ZFFHQIQNIOZAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-2-28-18-6-4-16(5-7-18)19-12-26-17(13-31-23(26)25-19)10-22(27)24-11-15-3-8-20-21(9-15)30-14-29-20/h3-9,12-13H,2,10-11,14H2,1H3,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 435.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 27370367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).