(4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine

C12H19NS — CID 170279800

IUPAC(4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine
SMILESC=C/C=C1/SC(C(C)(C)C)N/C1=C/C
InChIInChI=1S/C12H19NS/c1-6-8-10-9(7-2)13-11(14-10)12(3,4)5/h6-8,11,13H,1H2,2-5H3/b9-7+,10-8+
InChIKeyFWXJEQZBQSFSSQ-FIFLTTCUSA-N
MW209.36 g/mol
LogP3.67
Rot. Bonds1

About (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine

(4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine (PubChem CID 170279800) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine.

Molecular Properties

Compound Name(4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine
PubChem CID170279800
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine
SMILESC=C/C=C1/SC(C(C)(C)C)N/C1=C/C
InChIInChI=1S/C12H19NS/c1-6-8-10-9(7-2)13-11(14-10)12(3,4)5/h6-8,11,13H,1H2,2-5H3/b9-7+,10-8+
InChIKeyFWXJEQZBQSFSSQ-FIFLTTCUSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine?
The IUPAC name of (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine (CID 170279800) is (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine.
What is the SMILES notation for (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine?
The canonical SMILES for (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine is C=C/C=C1/SC(C(C)(C)C)N/C1=C/C.
What is the InChIKey of (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine?
The InChIKey is FWXJEQZBQSFSSQ-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H19NS/c1-6-8-10-9(7-2)13-11(14-10)12(3,4)5/h6-8,11,13H,1H2,2-5H3/b9-7+,10-8+.
What are the key properties of (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine?
(4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine has a molecular weight of 209.36 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine is sourced from PubChem (CID 170279800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).