(4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone

C22H29N5O2S — CID 53041191

IUPAC(4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
SMILESCCN1CCN(C(=O)c2sc3nc(-c4ccccc4)c(NCCOC)n3c2C)CC1
InChIInChI=1S/C22H29N5O2S/c1-4-25-11-13-26(14-12-25)21(28)19-16(2)27-20(23-10-15-29-3)18(24-22(27)30-19)17-8-6-5-7-9-17/h5-9,23H,4,10-15H2,1-3H3
InChIKeyRMHBKHRYTSXSAZ-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.21
Rot. Bonds7

About (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone

(4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone (PubChem CID 53041191) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
PubChem CID53041191
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC Name(4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
SMILESCCN1CCN(C(=O)c2sc3nc(-c4ccccc4)c(NCCOC)n3c2C)CC1
InChIInChI=1S/C22H29N5O2S/c1-4-25-11-13-26(14-12-25)21(28)19-16(2)27-20(23-10-15-29-3)18(24-22(27)30-19)17-8-6-5-7-9-17/h5-9,23H,4,10-15H2,1-3H3
InChIKeyRMHBKHRYTSXSAZ-UHFFFAOYSA-N
XLogP3.21
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone 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

[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 53041161
[6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone
CID 53041090
5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 53041160
(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109299609
ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204793
(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 9071369
ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701
(4-ethylpiperazin-1-yl)-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109364994
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 121031660
5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 82036018
(4-benzyl-1,4-diazepan-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 30545018

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone (CID 53041191) is (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone is CCN1CCN(C(=O)c2sc3nc(-c4ccccc4)c(NCCOC)n3c2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The InChIKey is RMHBKHRYTSXSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-4-25-11-13-26(14-12-25)21(28)19-16(2)27-20(23-10-15-29-3)18(24-22(27)30-19)17-8-6-5-7-9-17/h5-9,23H,4,10-15H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
(4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone has a molecular weight of 427.57 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone is sourced from PubChem (CID 53041191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).