2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol

C23H33N3OS — CID 67322392

IUPAC2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCO)CC4)n3)ccc21
InChIInChI=1S/C23H33N3OS/c1-22(2)7-8-23(3,4)19-15-17(5-6-18(19)22)20-16-28-21(24-20)26-11-9-25(10-12-26)13-14-27/h5-6,15-16,27H,7-14H2,1-4H3
InChIKeyIIHCRZAQRPTMEU-UHFFFAOYSA-N
MW399.60 g/mol
LogP4.27
Rot. Bonds4

About 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol

2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol (PubChem CID 67322392) has the molecular formula C23H33N3OS and a molecular weight of 399.60 g/mol. Its IUPAC name is 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol
PubChem CID67322392
Molecular FormulaC23H33N3OS
Molecular Weight399.60 g/mol
Exact Mass399.23
IUPAC Name2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCO)CC4)n3)ccc21
InChIInChI=1S/C23H33N3OS/c1-22(2)7-8-23(3,4)19-15-17(5-6-18(19)22)20-16-28-21(24-20)26-11-9-25(10-12-26)13-14-27/h5-6,15-16,27H,7-14H2,1-4H3
InChIKeyIIHCRZAQRPTMEU-UHFFFAOYSA-N
XLogP4.27
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol (CID 67322392) is 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCO)CC4)n3)ccc21.
What is the InChIKey of 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol?
The InChIKey is IIHCRZAQRPTMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3OS/c1-22(2)7-8-23(3,4)19-15-17(5-6-18(19)22)20-16-28-21(24-20)26-11-9-25(10-12-26)13-14-27/h5-6,15-16,27H,7-14H2,1-4H3.
What are the key properties of 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol has a molecular weight of 399.60 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 67322392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).