(5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione

C16H21NOS2 — CID 132500835

IUPAC(5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione
SMILESCCCC1/C(=C/c2ccccc2)SC(=S)N1CCOC
InChIInChI=1S/C16H21NOS2/c1-3-7-14-15(12-13-8-5-4-6-9-13)20-16(19)17(14)10-11-18-2/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3/b15-12-
InChIKeyCFOWXUKDDZMJQT-QINSGFPZSA-N
MW307.48 g/mol
LogP4.18
Rot. Bonds6

About (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione

(5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione (PubChem CID 132500835) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione
PubChem CID132500835
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC Name(5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione
SMILESCCCC1/C(=C/c2ccccc2)SC(=S)N1CCOC
InChIInChI=1S/C16H21NOS2/c1-3-7-14-15(12-13-8-5-4-6-9-13)20-16(19)17(14)10-11-18-2/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3/b15-12-
InChIKeyCFOWXUKDDZMJQT-QINSGFPZSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione?
The IUPAC name of (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione (CID 132500835) is (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione?
The canonical SMILES for (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione is CCCC1/C(=C/c2ccccc2)SC(=S)N1CCOC.
What is the InChIKey of (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione?
The InChIKey is CFOWXUKDDZMJQT-QINSGFPZSA-N. The full InChI is InChI=1S/C16H21NOS2/c1-3-7-14-15(12-13-8-5-4-6-9-13)20-16(19)17(14)10-11-18-2/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3/b15-12-.
What are the key properties of (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione?
(5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione has a molecular weight of 307.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(2-methoxyethyl)-4-propyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 132500835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).