(2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one

C15H11NO2S — CID 140618878

IUPAC(2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one
SMILES[H]/N=C1\CC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1
InChIInChI=1S/C15H11NO2S/c16-15-9-12(17)14(19-15)8-11-6-7-13(18-11)10-4-2-1-3-5-10/h1-8,16H,9H2/b14-8-,16-15+
InChIKeyNOADCYBVQGDEIV-AMVOCXCOSA-N
MW269.32 g/mol
LogP3.97
Rot. Bonds2

About (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one

(2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one (PubChem CID 140618878) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one.

Molecular Properties

Compound Name(2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one
PubChem CID140618878
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name(2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one
SMILES[H]/N=C1\CC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1
InChIInChI=1S/C15H11NO2S/c16-15-9-12(17)14(19-15)8-11-6-7-13(18-11)10-4-2-1-3-5-10/h1-8,16H,9H2/b14-8-,16-15+
InChIKeyNOADCYBVQGDEIV-AMVOCXCOSA-N
XLogP3.97
TPSA54.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1380155
(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59681883
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
4-[5-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 59987931
(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 2278274
(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18809392
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5E)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2297277
2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 173014269
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 88888408
4-tert-butyl-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]phenol;(2Z)-5-imino-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]thiolan-3-one;(2Z)-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-5-sulfanylidenethiolan-3-one;(2Z)-2-[[5-(3-phosphanylphenyl)furan-2-yl]methylidene]-5-sulfanylidenethiolan-3-one
CID 158660532
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 936576

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one?
The IUPAC name of (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one (CID 140618878) is (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one.
What is the SMILES notation for (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one?
The canonical SMILES for (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one is [H]/N=C1\CC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1.
What is the InChIKey of (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one?
The InChIKey is NOADCYBVQGDEIV-AMVOCXCOSA-N. The full InChI is InChI=1S/C15H11NO2S/c16-15-9-12(17)14(19-15)8-11-6-7-13(18-11)10-4-2-1-3-5-10/h1-8,16H,9H2/b14-8-,16-15+.
What are the key properties of (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one?
(2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one has a molecular weight of 269.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-imino-2-[(5-phenylfuran-2-yl)methylidene]thiolan-3-one is sourced from PubChem (CID 140618878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).