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

C14H10N2O2S — CID 2278274

IUPAC(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1
InChIInChI=1S/C14H10N2O2S/c15-14-16-13(17)12(19-14)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)/b12-8-
InChIKeyQCUUPUVKMFTTSW-WQLSENKSSA-N
MW270.31 g/mol
LogP2.88
Rot. Bonds2

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

(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 2278274) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID2278274
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1
InChIInChI=1S/C14H10N2O2S/c15-14-16-13(17)12(19-14)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)/b12-8-
InChIKeyQCUUPUVKMFTTSW-WQLSENKSSA-N
XLogP2.88
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.88
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-amino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 2853806
2-amino-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 3097374
3-[5-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate
CID 7453038
ethyl 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate
CID 1353774
ethyl 4-[5-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate
CID 1353772
2-amino-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 2844140
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 936576
(5Z)-2-amino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one;ethane
CID 144890918
2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 3126408
(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one
CID 1243441
prop-2-enyl 5-[5-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoate
CID 3146403
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1380155

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one (CID 2278274) is (5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one is NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1.
What is the InChIKey of (5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is QCUUPUVKMFTTSW-WQLSENKSSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-14-16-13(17)12(19-14)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)/b12-8-.
What are the key properties of (5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 270.31 g/mol, XLogP of 2.88, 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-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 2278274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).