(5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one

C10H8N2OS2 — CID 1221084

IUPAC(5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/C=C/c2cccs2)S1
InChIInChI=1S/C10H8N2OS2/c11-10-12-9(13)8(15-10)5-1-3-7-4-2-6-14-7/h1-6H,(H2,11,12,13)/b3-1+,8-5-
InChIKeyIUCNKAGQALMSNZ-ZWGQKFFPSA-N
MW236.32 g/mol
LogP2.23
Rot. Bonds2

About (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one

(5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one (PubChem CID 1221084) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one
PubChem CID1221084
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name(5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/C=C/c2cccs2)S1
InChIInChI=1S/C10H8N2OS2/c11-10-12-9(13)8(15-10)5-1-3-7-4-2-6-14-7/h1-6H,(H2,11,12,13)/b3-1+,8-5-
InChIKeyIUCNKAGQALMSNZ-ZWGQKFFPSA-N
XLogP2.23
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one (CID 1221084) is (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one is NC1=NC(=O)/C(=C/C=C/c2cccs2)S1.
What is the InChIKey of (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one?
The InChIKey is IUCNKAGQALMSNZ-ZWGQKFFPSA-N. The full InChI is InChI=1S/C10H8N2OS2/c11-10-12-9(13)8(15-10)5-1-3-7-4-2-6-14-7/h1-6H,(H2,11,12,13)/b3-1+,8-5-.
What are the key properties of (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one has a molecular weight of 236.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1221084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).