2-tert-butyl-4-propan-2-yl-1,3-thiazolidine

C10H21NS — CID 146228317

IUPAC2-tert-butyl-4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1CSC(C(C)(C)C)N1
InChIInChI=1S/C10H21NS/c1-7(2)8-6-12-9(11-8)10(3,4)5/h7-9,11H,6H2,1-5H3
InChIKeyMNUKMPMEYBYXCH-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.72
Rot. Bonds1

About 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine

2-tert-butyl-4-propan-2-yl-1,3-thiazolidine (PubChem CID 146228317) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-yl-1,3-thiazolidine
PubChem CID146228317
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-tert-butyl-4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1CSC(C(C)(C)C)N1
InChIInChI=1S/C10H21NS/c1-7(2)8-6-12-9(11-8)10(3,4)5/h7-9,11H,6H2,1-5H3
InChIKeyMNUKMPMEYBYXCH-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine (CID 146228317) is 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine is CC(C)C1CSC(C(C)(C)C)N1.
What is the InChIKey of 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine?
The InChIKey is MNUKMPMEYBYXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-7(2)8-6-12-9(11-8)10(3,4)5/h7-9,11H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine?
2-tert-butyl-4-propan-2-yl-1,3-thiazolidine has a molecular weight of 187.35 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 146228317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).