2-phenyl-2-propyl-1,3-thiazolidine

C12H17NS — CID 3087733

IUPAC2-phenyl-2-propyl-1,3-thiazolidine
SMILESCCCC1(c2ccccc2)NCCS1
InChIInChI=1S/C12H17NS/c1-2-8-12(13-9-10-14-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeySXLITDTVXZWHGU-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.98
Rot. Bonds3

About 2-phenyl-2-propyl-1,3-thiazolidine

2-phenyl-2-propyl-1,3-thiazolidine (PubChem CID 3087733) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-phenyl-2-propyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-phenyl-2-propyl-1,3-thiazolidine
PubChem CID3087733
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-phenyl-2-propyl-1,3-thiazolidine
SMILESCCCC1(c2ccccc2)NCCS1
InChIInChI=1S/C12H17NS/c1-2-8-12(13-9-10-14-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeySXLITDTVXZWHGU-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-propyl-1,3-thiazolidine?
The IUPAC name of 2-phenyl-2-propyl-1,3-thiazolidine (CID 3087733) is 2-phenyl-2-propyl-1,3-thiazolidine.
What is the SMILES notation for 2-phenyl-2-propyl-1,3-thiazolidine?
The canonical SMILES for 2-phenyl-2-propyl-1,3-thiazolidine is CCCC1(c2ccccc2)NCCS1.
What is the InChIKey of 2-phenyl-2-propyl-1,3-thiazolidine?
The InChIKey is SXLITDTVXZWHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-8-12(13-9-10-14-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of 2-phenyl-2-propyl-1,3-thiazolidine?
2-phenyl-2-propyl-1,3-thiazolidine has a molecular weight of 207.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-propyl-1,3-thiazolidine is sourced from PubChem (CID 3087733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).