(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one

C6H7NOS2 — CID 7326611

IUPAC(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC/C=C1/SC(=S)NC1=O
InChIInChI=1S/C6H7NOS2/c1-2-3-4-5(8)7-6(9)10-4/h3H,2H2,1H3,(H,7,8,9)/b4-3+
InChIKeyWQOCAQWSIYXZOP-ONEGZZNKSA-N
MW173.26 g/mol
LogP1.43
Rot. Bonds1

About (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 7326611) has the molecular formula C6H7NOS2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID7326611
Molecular FormulaC6H7NOS2
Molecular Weight173.26 g/mol
Exact Mass173.00
IUPAC Name(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC/C=C1/SC(=S)NC1=O
InChIInChI=1S/C6H7NOS2/c1-2-3-4-5(8)7-6(9)10-4/h3H,2H2,1H3,(H,7,8,9)/b4-3+
InChIKeyWQOCAQWSIYXZOP-ONEGZZNKSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 59102002
CID 59102002
(5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1271002
(5Z)-5-[(3-ethyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155163576
(5E)-5-[(4-methylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2027839
(5Z)-5-[(2-chlorocyclohexen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 134109662
5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 123191977
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(5Z)-5-[(1-methylimidazol-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 164611061
(5E)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2302246
(5E)-5-[[4-(4-methylphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71570691
(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124637942
(5E)-5-[[4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126345784

Frequently Asked Questions

What is the IUPAC name of (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one (CID 7326611) is (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one is CC/C=C1/SC(=S)NC1=O.
What is the InChIKey of (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WQOCAQWSIYXZOP-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H7NOS2/c1-2-3-4-5(8)7-6(9)10-4/h3H,2H2,1H3,(H,7,8,9)/b4-3+.
What are the key properties of (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 173.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 7326611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).