[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C24H24N4O3S — CID 42270017

IUPAC[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cn3c(C(=O)N4CCN(c5ccc(OC)cc5)CC4)csc3n2)cc1
InChIInChI=1S/C24H24N4O3S/c1-30-19-7-3-17(4-8-19)21-15-28-22(16-32-24(28)25-21)23(29)27-13-11-26(12-14-27)18-5-9-20(31-2)10-6-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyFQXOWFSCGPCPDY-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.04
Rot. Bonds5

About [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 42270017) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID42270017
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cn3c(C(=O)N4CCN(c5ccc(OC)cc5)CC4)csc3n2)cc1
InChIInChI=1S/C24H24N4O3S/c1-30-19-7-3-17(4-8-19)21-15-28-22(16-32-24(28)25-21)23(29)27-13-11-26(12-14-27)18-5-9-20(31-2)10-6-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyFQXOWFSCGPCPDY-UHFFFAOYSA-N
XLogP4.04
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270014
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270073
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270075
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 121038670
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propan-1-one
CID 30939669
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 121038678
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
N-cycloheptyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270576

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 42270017) is [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(-c2cn3c(C(=O)N4CCN(c5ccc(OC)cc5)CC4)csc3n2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is FQXOWFSCGPCPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-30-19-7-3-17(4-8-19)21-15-28-22(16-32-24(28)25-21)23(29)27-13-11-26(12-14-27)18-5-9-20(31-2)10-6-18/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 448.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42270017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).