5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole

C24H29N3S — CID 22762501

IUPAC5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCCc1ccc(N2CCN(CCc3ncc(Cc4ccccc4)s3)CC2)cc1
InChIInChI=1S/C24H29N3S/c1-2-20-8-10-22(11-9-20)27-16-14-26(15-17-27)13-12-24-25-19-23(28-24)18-21-6-4-3-5-7-21/h3-11,19H,2,12-18H2,1H3
InChIKeyLHDSWBNQHGAJMT-UHFFFAOYSA-N
MW391.58 g/mol
LogP4.66
Rot. Bonds7

About 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole

5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 22762501) has the molecular formula C24H29N3S and a molecular weight of 391.58 g/mol. Its IUPAC name is 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID22762501
Molecular FormulaC24H29N3S
Molecular Weight391.58 g/mol
Exact Mass391.21
IUPAC Name5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCCc1ccc(N2CCN(CCc3ncc(Cc4ccccc4)s3)CC2)cc1
InChIInChI=1S/C24H29N3S/c1-2-20-8-10-22(11-9-20)27-16-14-26(15-17-27)13-12-24-25-19-23(28-24)18-21-6-4-3-5-7-21/h3-11,19H,2,12-18H2,1H3
InChIKeyLHDSWBNQHGAJMT-UHFFFAOYSA-N
XLogP4.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 22762501) is 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole is CCc1ccc(N2CCN(CCc3ncc(Cc4ccccc4)s3)CC2)cc1.
What is the InChIKey of 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is LHDSWBNQHGAJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3S/c1-2-20-8-10-22(11-9-20)27-16-14-26(15-17-27)13-12-24-25-19-23(28-24)18-21-6-4-3-5-7-21/h3-11,19H,2,12-18H2,1H3.
What are the key properties of 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 391.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 22762501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).