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

C18H17N3O5S2 — CID 23647655

IUPAC(5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)S1
InChIInChI=1S/C18H17N3O5S2/c19-18-20-17(22)16(27-18)11-13-3-6-15(26-13)12-1-4-14(5-2-12)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H2,19,20,22)/b16-11-
InChIKeyINBNOUFWNYZABT-WJDWOHSUSA-N
MW419.48 g/mol
LogP1.90
Rot. Bonds4

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

(5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one (PubChem CID 23647655) has the molecular formula C18H17N3O5S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is (5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
PubChem CID23647655
Molecular FormulaC18H17N3O5S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC Name(5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)S1
InChIInChI=1S/C18H17N3O5S2/c19-18-20-17(22)16(27-18)11-13-3-6-15(26-13)12-1-4-14(5-2-12)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H2,19,20,22)/b16-11-
InChIKeyINBNOUFWNYZABT-WJDWOHSUSA-N
XLogP1.90
TPSA115.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one (CID 23647655) is (5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is NC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)S1.
What is the InChIKey of (5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?
The InChIKey is INBNOUFWNYZABT-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H17N3O5S2/c19-18-20-17(22)16(27-18)11-13-3-6-15(26-13)12-1-4-14(5-2-12)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H2,19,20,22)/b16-11-.
What are the key properties of (5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one has a molecular weight of 419.48 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 23647655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).