N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C24H25N3O3S — CID 42099413

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc1OC
InChIInChI=1S/C24H25N3O3S/c1-16-4-7-18(8-5-16)20-14-27-19(15-31-24(27)26-20)13-23(28)25-11-10-17-6-9-21(29-2)22(12-17)30-3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,25,28)
InChIKeyFTXKHLKPGXOTCX-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.29
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 42099413) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID42099413
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc1OC
InChIInChI=1S/C24H25N3O3S/c1-16-4-7-18(8-5-16)20-14-27-19(15-31-24(27)26-20)13-23(28)25-11-10-17-6-9-21(29-2)22(12-17)30-3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,25,28)
InChIKeyFTXKHLKPGXOTCX-UHFFFAOYSA-N
XLogP4.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide 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 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 42099413) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is COc1ccc(CCNC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is FTXKHLKPGXOTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16-4-7-18(8-5-16)20-14-27-19(15-31-24(27)26-20)13-23(28)25-11-10-17-6-9-21(29-2)22(12-17)30-3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 42099413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).