cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol

C26H32N2O2S — CID 71069643

IUPACcyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol
SMILESCN(CCOCc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)s1
InChIInChI=1S/C26H32N2O2S/c1-28(16-17-30-20-21-10-4-2-5-11-21)19-24-18-27-25(31-24)26(29,23-14-8-9-15-23)22-12-6-3-7-13-22/h2-7,10-13,18,23,29H,8-9,14-17,19-20H2,1H3
InChIKeyZEQACOZRYXMFPR-UHFFFAOYSA-N
MW436.62 g/mol
LogP5.22
Rot. Bonds10

About cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol

cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol (PubChem CID 71069643) has the molecular formula C26H32N2O2S and a molecular weight of 436.62 g/mol. Its IUPAC name is cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Namecyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol
PubChem CID71069643
Molecular FormulaC26H32N2O2S
Molecular Weight436.62 g/mol
Exact Mass436.22
IUPAC Namecyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol
SMILESCN(CCOCc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)s1
InChIInChI=1S/C26H32N2O2S/c1-28(16-17-30-20-21-10-4-2-5-11-21)19-24-18-27-25(31-24)26(29,23-14-8-9-15-23)22-12-6-3-7-13-22/h2-7,10-13,18,23,29H,8-9,14-17,19-20H2,1H3
InChIKeyZEQACOZRYXMFPR-UHFFFAOYSA-N
XLogP5.22
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol?
The IUPAC name of cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol (CID 71069643) is cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol.
What is the SMILES notation for cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol?
The canonical SMILES for cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol is CN(CCOCc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)s1.
What is the InChIKey of cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol?
The InChIKey is ZEQACOZRYXMFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2S/c1-28(16-17-30-20-21-10-4-2-5-11-21)19-24-18-27-25(31-24)26(29,23-14-8-9-15-23)22-12-6-3-7-13-22/h2-7,10-13,18,23,29H,8-9,14-17,19-20H2,1H3.
What are the key properties of cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol?
cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol has a molecular weight of 436.62 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol is sourced from PubChem (CID 71069643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).