4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C22H25N3O2S — CID 4788158

IUPAC4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N3O2S/c1-24-12-14-25(15-13-24)22-23-20(16-4-8-18(26-2)9-5-16)21(28-22)17-6-10-19(27-3)11-7-17/h4-11H,12-15H2,1-3H3
InChIKeyZIBPFPDJVNOBOW-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.25
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 4788158) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID4788158
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N3O2S/c1-24-12-14-25(15-13-24)22-23-20(16-4-8-18(26-2)9-5-16)21(28-22)17-6-10-19(27-3)11-7-17/h4-11H,12-15H2,1-3H3
InChIKeyZIBPFPDJVNOBOW-UHFFFAOYSA-N
XLogP4.25
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 4788158) is 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is COc1ccc(-c2nc(N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is ZIBPFPDJVNOBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-24-12-14-25(15-13-24)22-23-20(16-4-8-18(26-2)9-5-16)21(28-22)17-6-10-19(27-3)11-7-17/h4-11H,12-15H2,1-3H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 395.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 4788158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).