2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole

C21H23N3OS — CID 653037

IUPAC2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(N3CCN(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C21H23N3OS/c1-25-19-9-5-8-18(14-19)20-16-26-21(22-20)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3
InChIKeyUJCPIAKYLHLASK-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole

2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 653037) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole
PubChem CID653037
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(N3CCN(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C21H23N3OS/c1-25-19-9-5-8-18(14-19)20-16-26-21(22-20)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3
InChIKeyUJCPIAKYLHLASK-UHFFFAOYSA-N
XLogP4.14
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole (CID 653037) is 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2csc(N3CCN(Cc4ccccc4)CC3)n2)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is UJCPIAKYLHLASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-25-19-9-5-8-18(14-19)20-16-26-21(22-20)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole?
2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 365.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 653037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).