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

C23H24N4O2S — CID 27377127

IUPACN-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
SMILESCOc1ccc(-c2cn3c(CCC(=O)Nc4ccc(N(C)C)cc4)csc3n2)cc1
InChIInChI=1S/C23H24N4O2S/c1-26(2)18-8-6-17(7-9-18)24-22(28)13-10-19-15-30-23-25-21(14-27(19)23)16-4-11-20(29-3)12-5-16/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,24,28)
InChIKeyJUCQKJDWXOYYAN-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.71
Rot. Bonds7

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

N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (PubChem CID 27377127) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
PubChem CID27377127
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
SMILESCOc1ccc(-c2cn3c(CCC(=O)Nc4ccc(N(C)C)cc4)csc3n2)cc1
InChIInChI=1S/C23H24N4O2S/c1-26(2)18-8-6-17(7-9-18)24-22(28)13-10-19-15-30-23-25-21(14-27(19)23)16-4-11-20(29-3)12-5-16/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,24,28)
InChIKeyJUCQKJDWXOYYAN-UHFFFAOYSA-N
XLogP4.71
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide
CID 30939846
methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate
CID 30939611
N-(3-chloro-2-methylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939637
4-[[2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 40509193
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide
CID 30939832
3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 30939481
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038694
N-(6-chloro-3-pyridinyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 141329544
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
N-(3,4-dimethoxyphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044188
butyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]benzoate
CID 30939331
N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939931

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (CID 27377127) is N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is COc1ccc(-c2cn3c(CCC(=O)Nc4ccc(N(C)C)cc4)csc3n2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The InChIKey is JUCQKJDWXOYYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-26(2)18-8-6-17(7-9-18)24-22(28)13-10-19-15-30-23-25-21(14-27(19)23)16-4-11-20(29-3)12-5-16/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide has a molecular weight of 420.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is sourced from PubChem (CID 27377127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).