2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine

C13H25NS — CID 167079560

IUPAC2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1NC(C2CCCCC2)SC1C
InChIInChI=1S/C13H25NS/c1-9(2)12-10(3)15-13(14-12)11-7-5-4-6-8-11/h9-14H,4-8H2,1-3H3
InChIKeyGDZAILMRXCYGRI-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.64
Rot. Bonds2

About 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine

2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine (PubChem CID 167079560) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine
PubChem CID167079560
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1NC(C2CCCCC2)SC1C
InChIInChI=1S/C13H25NS/c1-9(2)12-10(3)15-13(14-12)11-7-5-4-6-8-11/h9-14H,4-8H2,1-3H3
InChIKeyGDZAILMRXCYGRI-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine (CID 167079560) is 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine is CC(C)C1NC(C2CCCCC2)SC1C.
What is the InChIKey of 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine?
The InChIKey is GDZAILMRXCYGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-9(2)12-10(3)15-13(14-12)11-7-5-4-6-8-11/h9-14H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine?
2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine has a molecular weight of 227.42 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 167079560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).