3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride

C15H24ClNOS — CID 21153416

IUPAC3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride
SMILESCc1ccccc1OCCCCCN1CCSC1.Cl
InChIInChI=1S/C15H23NOS.ClH/c1-14-7-3-4-8-15(14)17-11-6-2-5-9-16-10-12-18-13-16;/h3-4,7-8H,2,5-6,9-13H2,1H3;1H
InChIKeyKCUSZOAVHLPEDM-UHFFFAOYSA-N
MW301.88 g/mol
LogP3.97
Rot. Bonds7

About 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride

3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride (PubChem CID 21153416) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride
PubChem CID21153416
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride
SMILESCc1ccccc1OCCCCCN1CCSC1.Cl
InChIInChI=1S/C15H23NOS.ClH/c1-14-7-3-4-8-15(14)17-11-6-2-5-9-16-10-12-18-13-16;/h3-4,7-8H,2,5-6,9-13H2,1H3;1H
InChIKeyKCUSZOAVHLPEDM-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 86993650
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1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
1-methyl-2-pentadecoxybenzene
CID 154641785
11-(2-methylphenoxy)undecan-1-ol
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7-(2-methylphenoxy)heptanoic acid
CID 92930643
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
ethane;1-methyl-2-pentoxybenzene
CID 143283195
4-(2-methylphenoxy)butane-1-thiol
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride (CID 21153416) is 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride is Cc1ccccc1OCCCCCN1CCSC1.Cl.
What is the InChIKey of 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride?
The InChIKey is KCUSZOAVHLPEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS.ClH/c1-14-7-3-4-8-15(14)17-11-6-2-5-9-16-10-12-18-13-16;/h3-4,7-8H,2,5-6,9-13H2,1H3;1H.
What are the key properties of 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride?
3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride has a molecular weight of 301.88 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 21153416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).