methyl 2-propyl-1,3-thiazolidine-2-carboxylate

C8H15NO2S — CID 54553440

IUPACmethyl 2-propyl-1,3-thiazolidine-2-carboxylate
SMILESCCCC1(C(=O)OC)NCCS1
InChIInChI=1S/C8H15NO2S/c1-3-4-8(7(10)11-2)9-5-6-12-8/h9H,3-6H2,1-2H3
InChIKeyZLMOWEKDPWQOGN-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds3

About methyl 2-propyl-1,3-thiazolidine-2-carboxylate

methyl 2-propyl-1,3-thiazolidine-2-carboxylate (PubChem CID 54553440) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is methyl 2-propyl-1,3-thiazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-propyl-1,3-thiazolidine-2-carboxylate
PubChem CID54553440
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namemethyl 2-propyl-1,3-thiazolidine-2-carboxylate
SMILESCCCC1(C(=O)OC)NCCS1
InChIInChI=1S/C8H15NO2S/c1-3-4-8(7(10)11-2)9-5-6-12-8/h9H,3-6H2,1-2H3
InChIKeyZLMOWEKDPWQOGN-UHFFFAOYSA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-propyl-1,3-thiazolidine-2-carboxylate?
The IUPAC name of methyl 2-propyl-1,3-thiazolidine-2-carboxylate (CID 54553440) is methyl 2-propyl-1,3-thiazolidine-2-carboxylate.
What is the SMILES notation for methyl 2-propyl-1,3-thiazolidine-2-carboxylate?
The canonical SMILES for methyl 2-propyl-1,3-thiazolidine-2-carboxylate is CCCC1(C(=O)OC)NCCS1.
What is the InChIKey of methyl 2-propyl-1,3-thiazolidine-2-carboxylate?
The InChIKey is ZLMOWEKDPWQOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-4-8(7(10)11-2)9-5-6-12-8/h9H,3-6H2,1-2H3.
What are the key properties of methyl 2-propyl-1,3-thiazolidine-2-carboxylate?
methyl 2-propyl-1,3-thiazolidine-2-carboxylate has a molecular weight of 189.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propyl-1,3-thiazolidine-2-carboxylate is sourced from PubChem (CID 54553440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).