4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine

C11H23NS — CID 142650693

IUPAC4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine
SMILESCCC(C)C1CSCN1CC(C)C
InChIInChI=1S/C11H23NS/c1-5-10(4)11-7-13-8-12(11)6-9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyMVCXNBBXULBQCE-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.06
Rot. Bonds4

About 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine

4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine (PubChem CID 142650693) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine
PubChem CID142650693
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine
SMILESCCC(C)C1CSCN1CC(C)C
InChIInChI=1S/C11H23NS/c1-5-10(4)11-7-13-8-12(11)6-9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyMVCXNBBXULBQCE-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine?
The IUPAC name of 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine (CID 142650693) is 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine.
What is the SMILES notation for 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine?
The canonical SMILES for 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine is CCC(C)C1CSCN1CC(C)C.
What is the InChIKey of 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine?
The InChIKey is MVCXNBBXULBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-10(4)11-7-13-8-12(11)6-9(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine?
4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine has a molecular weight of 201.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-(2-methylpropyl)-1,3-thiazolidine is sourced from PubChem (CID 142650693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).