4-tert-butyl-3-methyl-1,3-thiazolidine

C8H17NS — CID 90181176

IUPAC4-tert-butyl-3-methyl-1,3-thiazolidine
SMILESCN1CSCC1C(C)(C)C
InChIInChI=1S/C8H17NS/c1-8(2,3)7-5-10-6-9(7)4/h7H,5-6H2,1-4H3
InChIKeyDZDNCAJEJCQSMR-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.04
Rot. Bonds

About 4-tert-butyl-3-methyl-1,3-thiazolidine

4-tert-butyl-3-methyl-1,3-thiazolidine (PubChem CID 90181176) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-1,3-thiazolidine
PubChem CID90181176
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-tert-butyl-3-methyl-1,3-thiazolidine
SMILESCN1CSCC1C(C)(C)C
InChIInChI=1S/C8H17NS/c1-8(2,3)7-5-10-6-9(7)4/h7H,5-6H2,1-4H3
InChIKeyDZDNCAJEJCQSMR-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-3-methyl-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-tert-butyl-3-methyl-1,3-thiazolidine?
The IUPAC name of 4-tert-butyl-3-methyl-1,3-thiazolidine (CID 90181176) is 4-tert-butyl-3-methyl-1,3-thiazolidine.
What is the SMILES notation for 4-tert-butyl-3-methyl-1,3-thiazolidine?
The canonical SMILES for 4-tert-butyl-3-methyl-1,3-thiazolidine is CN1CSCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methyl-1,3-thiazolidine?
The InChIKey is DZDNCAJEJCQSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,3)7-5-10-6-9(7)4/h7H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-1,3-thiazolidine?
4-tert-butyl-3-methyl-1,3-thiazolidine has a molecular weight of 159.30 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-1,3-thiazolidine is sourced from PubChem (CID 90181176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).