3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide

C21H20N4O2S — CID 30939481

IUPAC3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(-c2cn3c(CCC(=O)NCc4ccncc4)csc3n2)cc1
InChIInChI=1S/C21H20N4O2S/c1-27-18-5-2-16(3-6-18)19-13-25-17(14-28-21(25)24-19)4-7-20(26)23-12-15-8-10-22-11-9-15/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,26)
InChIKeyJZUUYZPNLQWXHM-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.72
Rot. Bonds7

About 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide

3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 30939481) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID30939481
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(-c2cn3c(CCC(=O)NCc4ccncc4)csc3n2)cc1
InChIInChI=1S/C21H20N4O2S/c1-27-18-5-2-16(3-6-18)19-13-25-17(14-28-21(25)24-19)4-7-20(26)23-12-15-8-10-22-11-9-15/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,26)
InChIKeyJZUUYZPNLQWXHM-UHFFFAOYSA-N
XLogP3.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide (CID 30939481) is 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(-c2cn3c(CCC(=O)NCc4ccncc4)csc3n2)cc1.
What is the InChIKey of 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is JZUUYZPNLQWXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-27-18-5-2-16(3-6-18)19-13-25-17(14-28-21(25)24-19)4-7-20(26)23-12-15-8-10-22-11-9-15/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,26).
What are the key properties of 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide?
3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 30939481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).