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

C24H24N4O2S — CID 5310082

IUPAC[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5)CC4)sc3n2)cc1
InChIInChI=1S/C24H24N4O2S/c1-17-22(23(29)27-14-12-26(13-15-27)19-6-4-3-5-7-19)31-24-25-21(16-28(17)24)18-8-10-20(30-2)11-9-18/h3-11,16H,12-15H2,1-2H3
InChIKeyJXAAYTMOFSZDPM-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.34
Rot. Bonds4

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

[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 5310082) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID5310082
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5)CC4)sc3n2)cc1
InChIInChI=1S/C24H24N4O2S/c1-17-22(23(29)27-14-12-26(13-15-27)19-6-4-3-5-7-19)31-24-25-21(16-28(17)24)18-8-10-20(30-2)11-9-18/h3-11,16H,12-15H2,1-2H3
InChIKeyJXAAYTMOFSZDPM-UHFFFAOYSA-N
XLogP4.34
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 134207727
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Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 5310082) is [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5)CC4)sc3n2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JXAAYTMOFSZDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-17-22(23(29)27-14-12-26(13-15-27)19-6-4-3-5-7-19)31-24-25-21(16-28(17)24)18-8-10-20(30-2)11-9-18/h3-11,16H,12-15H2,1-2H3.
What are the key properties of [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 432.55 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 5310082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).