2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide

C20H25ClN4OS — CID 7522241

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C20H25ClN4OS/c1-3-24(4-2)11-5-10-22-19(26)12-17-14-27-20-23-18(13-25(17)20)15-6-8-16(21)9-7-15/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,22,26)
InChIKeyCCVPAEANYWFYKP-UHFFFAOYSA-N
MW404.97 g/mol
LogP4.11
Rot. Bonds9

About 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide (PubChem CID 7522241) has the molecular formula C20H25ClN4OS and a molecular weight of 404.97 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide
PubChem CID7522241
Molecular FormulaC20H25ClN4OS
Molecular Weight404.97 g/mol
Exact Mass404.14
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C20H25ClN4OS/c1-3-24(4-2)11-5-10-22-19(26)12-17-14-27-20-23-18(13-25(17)20)15-6-8-16(21)9-7-15/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,22,26)
InChIKeyCCVPAEANYWFYKP-UHFFFAOYSA-N
XLogP4.11
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide (CID 7522241) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide is CCN(CC)CCCNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide?
The InChIKey is CCVPAEANYWFYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4OS/c1-3-24(4-2)11-5-10-22-19(26)12-17-14-27-20-23-18(13-25(17)20)15-6-8-16(21)9-7-15/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,22,26).
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide has a molecular weight of 404.97 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(diethylamino)propyl]acetamide is sourced from PubChem (CID 7522241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).