(4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine

C9H13NS — CID 145377012

IUPAC(4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine
SMILESC=C1NC(=C/CC)/C(=C\C)S1
InChIInChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h5-6,10H,3-4H2,1-2H3/b8-6+,9-5+
InChIKeyDSRUTGDFQNIPIW-RFSWUZDDSA-N
MW167.28 g/mol
LogP2.99
Rot. Bonds1

About (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine

(4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine (PubChem CID 145377012) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine
PubChem CID145377012
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine
SMILESC=C1NC(=C/CC)/C(=C\C)S1
InChIInChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h5-6,10H,3-4H2,1-2H3/b8-6+,9-5+
InChIKeyDSRUTGDFQNIPIW-RFSWUZDDSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-5-ethylidene-2,4-dimethylidene-1,3-thiazolidine
CID 142844801
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143383131
5,6-dihydro-3H-1,3-benzothiazole-2-thione;ethane
CID 143877893
(4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one
CID 167294879
(2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol
CID 170069032
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143256494

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine?
The IUPAC name of (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine (CID 145377012) is (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine.
What is the SMILES notation for (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine?
The canonical SMILES for (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine is C=C1NC(=C/CC)/C(=C\C)S1.
What is the InChIKey of (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine?
The InChIKey is DSRUTGDFQNIPIW-RFSWUZDDSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h5-6,10H,3-4H2,1-2H3/b8-6+,9-5+.
What are the key properties of (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine?
(4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine has a molecular weight of 167.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine is sourced from PubChem (CID 145377012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).