N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

C19H22N4O3S — CID 46969253

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cn3ccnc3C(C)C)n2)cc1OC
InChIInChI=1S/C19H22N4O3S/c1-12(2)18-20-7-8-23(18)10-17(24)22-19-21-14(11-27-19)13-5-6-15(25-3)16(9-13)26-4/h5-9,11-12H,10H2,1-4H3,(H,21,22,24)
InChIKeyWXVJRIWXZVSVMR-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.79
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 46969253) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
PubChem CID46969253
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cn3ccnc3C(C)C)n2)cc1OC
InChIInChI=1S/C19H22N4O3S/c1-12(2)18-20-7-8-23(18)10-17(24)22-19-21-14(11-27-19)13-5-6-15(25-3)16(9-13)26-4/h5-9,11-12H,10H2,1-4H3,(H,21,22,24)
InChIKeyWXVJRIWXZVSVMR-UHFFFAOYSA-N
XLogP3.79
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-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

Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 43038734
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 23938228
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 40880417
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylanilino)acetamide
CID 78822990
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
2-[2-(azepan-1-yl)ethylsulfanyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 134065017

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (CID 46969253) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is COc1ccc(-c2csc(NC(=O)Cn3ccnc3C(C)C)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is WXVJRIWXZVSVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(2)18-20-7-8-23(18)10-17(24)22-19-21-14(11-27-19)13-5-6-15(25-3)16(9-13)26-4/h5-9,11-12H,10H2,1-4H3,(H,21,22,24).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 46969253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).