4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole

C9H8N2S3 — CID 70033062

IUPAC4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
SMILESC=CCc1csc(Sc2nccs2)n1
InChIInChI=1S/C9H8N2S3/c1-2-3-7-6-13-9(11-7)14-8-10-4-5-12-8/h2,4-6H,1,3H2
InChIKeyCZYMNAIQUHALQD-UHFFFAOYSA-N
MW240.38 g/mol
LogP3.48
Rot. Bonds4

About 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole

4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole (PubChem CID 70033062) has the molecular formula C9H8N2S3 and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
PubChem CID70033062
Molecular FormulaC9H8N2S3
Molecular Weight240.38 g/mol
Exact Mass239.98
IUPAC Name4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
SMILESC=CCc1csc(Sc2nccs2)n1
InChIInChI=1S/C9H8N2S3/c1-2-3-7-6-13-9(11-7)14-8-10-4-5-12-8/h2,4-6H,1,3H2
InChIKeyCZYMNAIQUHALQD-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole (CID 70033062) is 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole is C=CCc1csc(Sc2nccs2)n1.
What is the InChIKey of 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The InChIKey is CZYMNAIQUHALQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S3/c1-2-3-7-6-13-9(11-7)14-8-10-4-5-12-8/h2,4-6H,1,3H2.
What are the key properties of 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole has a molecular weight of 240.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 70033062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).