(4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one

C12H8N2O2S2 — CID 9313062

IUPAC(4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
SMILESCc1nc(/C=C2\N=C(c3cccs3)OC2=O)cs1
InChIInChI=1S/C12H8N2O2S2/c1-7-13-8(6-18-7)5-9-12(15)16-11(14-9)10-3-2-4-17-10/h2-6H,1H3/b9-5-
InChIKeyZHDWYIKUIJKTKS-UITAMQMPSA-N
MW276.34 g/mol
LogP2.86
Rot. Bonds2

About (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one

(4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one (PubChem CID 9313062) has the molecular formula C12H8N2O2S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
PubChem CID9313062
Molecular FormulaC12H8N2O2S2
Molecular Weight276.34 g/mol
Exact Mass276.00
IUPAC Name(4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
SMILESCc1nc(/C=C2\N=C(c3cccs3)OC2=O)cs1
InChIInChI=1S/C12H8N2O2S2/c1-7-13-8(6-18-7)5-9-12(15)16-11(14-9)10-3-2-4-17-10/h2-6H,1H3/b9-5-
InChIKeyZHDWYIKUIJKTKS-UITAMQMPSA-N
XLogP2.86
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(4-methylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 6368940
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 840009
4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 3678318
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2365519
4-but-2-enylidene-2-thiophen-2-yl-1,3-oxazol-5-one
CID 3433110
(4E)-4-[(4-propan-2-yloxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 108937063
2-thiophen-2-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3441442
4-[(4-nitrophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 3877300
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2362358
methanol;(4E)-4-[(3-methoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 159912770
(4Z)-4-[(5-fluoro-3-pyridinyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 58533671
(4Z)-4-[(2-nitrophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 7963736

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one (CID 9313062) is (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is Cc1nc(/C=C2\N=C(c3cccs3)OC2=O)cs1.
What is the InChIKey of (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The InChIKey is ZHDWYIKUIJKTKS-UITAMQMPSA-N. The full InChI is InChI=1S/C12H8N2O2S2/c1-7-13-8(6-18-7)5-9-12(15)16-11(14-9)10-3-2-4-17-10/h2-6H,1H3/b9-5-.
What are the key properties of (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
(4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one has a molecular weight of 276.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 9313062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).