3,4-ditert-butyl-2-methylidene-1,3-thiazolidine

C12H23NS — CID 158033931

IUPAC3,4-ditert-butyl-2-methylidene-1,3-thiazolidine
SMILESC=C1SCC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C12H23NS/c1-9-13(12(5,6)7)10(8-14-9)11(2,3)4/h10H,1,8H2,2-7H3
InChIKeyJQGCLRKNHRVRNC-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.72
Rot. Bonds

About 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine

3,4-ditert-butyl-2-methylidene-1,3-thiazolidine (PubChem CID 158033931) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine.

Molecular Properties

Compound Name3,4-ditert-butyl-2-methylidene-1,3-thiazolidine
PubChem CID158033931
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name3,4-ditert-butyl-2-methylidene-1,3-thiazolidine
SMILESC=C1SCC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C12H23NS/c1-9-13(12(5,6)7)10(8-14-9)11(2,3)4/h10H,1,8H2,2-7H3
InChIKeyJQGCLRKNHRVRNC-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine?
The IUPAC name of 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine (CID 158033931) is 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine.
What is the SMILES notation for 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine?
The canonical SMILES for 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine is C=C1SCC(C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine?
The InChIKey is JQGCLRKNHRVRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9-13(12(5,6)7)10(8-14-9)11(2,3)4/h10H,1,8H2,2-7H3.
What are the key properties of 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine?
3,4-ditert-butyl-2-methylidene-1,3-thiazolidine has a molecular weight of 213.39 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-2-methylidene-1,3-thiazolidine is sourced from PubChem (CID 158033931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).