[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone

C22H29N5O3S — CID 53041161

IUPAC[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCCNc1c(-c2ccc(OC)cc2)nc2sc(C(=O)N3CCN(C)CC3)c(C)n12
InChIInChI=1S/C22H29N5O3S/c1-15-19(21(28)26-12-10-25(2)11-13-26)31-22-24-18(16-5-7-17(30-4)8-6-16)20(27(15)22)23-9-14-29-3/h5-8,23H,9-14H2,1-4H3
InChIKeyAJLGKSQBZYKAFM-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.83
Rot. Bonds7

About [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53041161) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53041161
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCCNc1c(-c2ccc(OC)cc2)nc2sc(C(=O)N3CCN(C)CC3)c(C)n12
InChIInChI=1S/C22H29N5O3S/c1-15-19(21(28)26-12-10-25(2)11-13-26)31-22-24-18(16-5-7-17(30-4)8-6-16)20(27(15)22)23-9-14-29-3/h5-8,23H,9-14H2,1-4H3
InChIKeyAJLGKSQBZYKAFM-UHFFFAOYSA-N
XLogP2.83
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
CID 53041191
5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 53041160
[6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone
CID 53041090
ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701
[6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 126474320
3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227751
6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205441
ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204832
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
[3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865298
N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
CID 78870020
[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 134085428

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 53041161) is [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone is COCCNc1c(-c2ccc(OC)cc2)nc2sc(C(=O)N3CCN(C)CC3)c(C)n12.
What is the InChIKey of [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AJLGKSQBZYKAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-15-19(21(28)26-12-10-25(2)11-13-26)31-22-24-18(16-5-7-17(30-4)8-6-16)20(27(15)22)23-9-14-29-3/h5-8,23H,9-14H2,1-4H3.
What are the key properties of [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 443.57 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53041161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).