2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine

C11H15NOS — CID 101352609

IUPAC2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine
SMILESCOc1ccc(CN2CCCS2)cc1
InChIInChI=1S/C11H15NOS/c1-13-11-5-3-10(4-6-11)9-12-7-2-8-14-12/h3-6H,2,7-9H2,1H3
InChIKeyZHHFOMOYOXQISN-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.55
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine

2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine (PubChem CID 101352609) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine
PubChem CID101352609
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine
SMILESCOc1ccc(CN2CCCS2)cc1
InChIInChI=1S/C11H15NOS/c1-13-11-5-3-10(4-6-11)9-12-7-2-8-14-12/h3-6H,2,7-9H2,1H3
InChIKeyZHHFOMOYOXQISN-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
(4S)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-thiadiazolidine
CID 145440473
1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepane
CID 51075596
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 134951685
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine (CID 101352609) is 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine is COc1ccc(CN2CCCS2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine?
The InChIKey is ZHHFOMOYOXQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-11-5-3-10(4-6-11)9-12-7-2-8-14-12/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine?
2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine has a molecular weight of 209.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine is sourced from PubChem (CID 101352609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).