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

C9H8N2OS2 — CID 1224851

IUPAC(5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccsc1/C=C1\SC(N)=NC1=O
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-13-6(5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)/b7-4-
InChIKeyNFDAWATZLGKCQD-DAXSKMNVSA-N
MW224.31 g/mol
LogP1.99
Rot. Bonds1

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

(5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 1224851) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID1224851
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccsc1/C=C1\SC(N)=NC1=O
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-13-6(5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)/b7-4-
InChIKeyNFDAWATZLGKCQD-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one (CID 1224851) is (5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one is Cc1ccsc1/C=C1\SC(N)=NC1=O.
What is the InChIKey of (5Z)-2-amino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is NFDAWATZLGKCQD-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5-2-3-13-6(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-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(3-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-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1224851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).