2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine

C14H19NS — CID 6447465

IUPAC2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine
SMILESCC1(CC/C=C/c2ccccc2)NCCS1
InChIInChI=1S/C14H19NS/c1-14(15-11-12-16-14)10-6-5-9-13-7-3-2-4-8-13/h2-5,7-9,15H,6,10-12H2,1H3/b9-5+
InChIKeyUCWCWAWPOSCQBH-WEVVVXLNSA-N
MW233.38 g/mol
LogP3.53
Rot. Bonds4

About 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine

2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine (PubChem CID 6447465) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine
PubChem CID6447465
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine
SMILESCC1(CC/C=C/c2ccccc2)NCCS1
InChIInChI=1S/C14H19NS/c1-14(15-11-12-16-14)10-6-5-9-13-7-3-2-4-8-13/h2-5,7-9,15H,6,10-12H2,1H3/b9-5+
InChIKeyUCWCWAWPOSCQBH-WEVVVXLNSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine?
The IUPAC name of 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine (CID 6447465) is 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine?
The canonical SMILES for 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine is CC1(CC/C=C/c2ccccc2)NCCS1.
What is the InChIKey of 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine?
The InChIKey is UCWCWAWPOSCQBH-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H19NS/c1-14(15-11-12-16-14)10-6-5-9-13-7-3-2-4-8-13/h2-5,7-9,15H,6,10-12H2,1H3/b9-5+.
What are the key properties of 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine?
2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine has a molecular weight of 233.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine is sourced from PubChem (CID 6447465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).