(5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one

C9H8N2OS2 — CID 1228616

IUPAC(5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N)=NC2=O)s1
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-6(13-5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)/b7-4-
InChIKeyQSCATTCVNHITGW-DAXSKMNVSA-N
MW224.31 g/mol
LogP1.99
Rot. Bonds1

About (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one

(5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 1228616) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID1228616
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N)=NC2=O)s1
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-6(13-5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)/b7-4-
InChIKeyQSCATTCVNHITGW-DAXSKMNVSA-N
XLogP1.99
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.99
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-Methylsulfanyl imidazol-4-one, 8
CID 135932619
2-(allylsulfanyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 1803359
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
N-{(2E,5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene}acetamide
CID 1227506
2-Imino-5-thiophen-2-ylmethylene-thiazolidin-4-one
CID 1205038
(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135445605
(5Z)-2-imino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 145924197
(5Z)-2-imino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 172017816
(5E)-2-mercapto-5-[(5-methyl-2-thienyl)methylene]-1,3-thiazol-4(5H)-one
CID 1226951
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 1226952

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one (CID 1228616) is (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one is Cc1ccc(/C=C2\SC(N)=NC2=O)s1.
What is the InChIKey of (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is QSCATTCVNHITGW-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5-2-3-6(13-5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)/b7-4-.
What are the key properties of (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 224.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1228616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).