4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine

C11H23N3OS — CID 155003920

IUPAC4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine
SMILESCC(C)C1CNC(OCC2CSCN2)CN1
InChIInChI=1S/C11H23N3OS/c1-8(2)10-3-13-11(4-12-10)15-5-9-6-16-7-14-9/h8-14H,3-7H2,1-2H3
InChIKeyDHIFGTFVDAMPJE-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.21
Rot. Bonds4

About 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine

4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine (PubChem CID 155003920) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine.

Molecular Properties

Compound Name4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine
PubChem CID155003920
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine
SMILESCC(C)C1CNC(OCC2CSCN2)CN1
InChIInChI=1S/C11H23N3OS/c1-8(2)10-3-13-11(4-12-10)15-5-9-6-16-7-14-9/h8-14H,3-7H2,1-2H3
InChIKeyDHIFGTFVDAMPJE-UHFFFAOYSA-N
XLogP0.21
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine?
The IUPAC name of 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine (CID 155003920) is 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine.
What is the SMILES notation for 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine?
The canonical SMILES for 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine is CC(C)C1CNC(OCC2CSCN2)CN1.
What is the InChIKey of 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine?
The InChIKey is DHIFGTFVDAMPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-8(2)10-3-13-11(4-12-10)15-5-9-6-16-7-14-9/h8-14H,3-7H2,1-2H3.
What are the key properties of 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine?
4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine has a molecular weight of 245.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine is sourced from PubChem (CID 155003920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).