2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one

C8H6N2OS2 — CID 2865758

IUPAC2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(=Cc2ccsc2)S1
InChIInChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11)
InChIKeyLMIMBTHCPZTIRH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.68
Rot. Bonds1

About 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one

2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 2865758) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
PubChem CID2865758
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(=Cc2ccsc2)S1
InChIInChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11)
InChIKeyLMIMBTHCPZTIRH-UHFFFAOYSA-N
XLogP1.68
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.68
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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Related Compounds

2-Imino-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1224851
2-Imino-5-[3-(2-thienyl)-2-propenylidene]-1,3-thiazolidin-4-one
CID 1221084
2-Imino-5-(2-thienylmethylene)-1,3-thiazolidin-4-one
CID 1205039
2-Imino-5-(3-thienylmethylene)-1,3-thiazolidin-4-one
CID 1201946
(5Z)-2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
CID 1201947
2-Imino-5-thiophen-2-ylmethylene-thiazolidin-4-one
CID 1205038
5-(3-Thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1238528
(5Z)-2-sulfanyl-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 1238529
CID 171127509
CID 171127509
(5Z)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 172016908
(5Z)-3-methyl-2-methylimino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 5767189
5-(3-Thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1361712

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one (CID 2865758) is 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one is NC1=NC(=O)C(=Cc2ccsc2)S1.
What is the InChIKey of 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is LMIMBTHCPZTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11).
What are the key properties of 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one?
2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 2865758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).