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

C18H18N4O4S2 — CID 23647654

IUPAC(5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)o2)S1
InChIInChI=1S/C18H18N4O4S2/c19-18-21-17(23)16(27-18)11-13-3-6-15(26-13)12-1-4-14(5-2-12)28(24,25)22-9-7-20-8-10-22/h1-6,11,20H,7-10H2,(H2,19,21,23)/b16-11-
InChIKeyUDDCMASGEGKOHK-WJDWOHSUSA-N
MW418.50 g/mol
LogP1.47
Rot. Bonds4

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

(5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one (PubChem CID 23647654) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
PubChem CID23647654
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name(5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)o2)S1
InChIInChI=1S/C18H18N4O4S2/c19-18-21-17(23)16(27-18)11-13-3-6-15(26-13)12-1-4-14(5-2-12)28(24,25)22-9-7-20-8-10-22/h1-6,11,20H,7-10H2,(H2,19,21,23)/b16-11-
InChIKeyUDDCMASGEGKOHK-WJDWOHSUSA-N
XLogP1.47
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.47
H-Bond Donors ≤ 52
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'}

Analyze (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one with MolForge

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Related Compounds

4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}benzenesulfonamide
CID 5729339
4-{5-[(Z)-(2,4-Dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-YL}benzenesulfonamide
CID 5828196
4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzene-1-sulfonamide
CID 23647657
4-(5-((Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl)-2-Furyl)-N-Methylbenzenesulfonamide
CID 137349058
4-(5-((1Z)-1-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl)-2-furyl)benzenesulfonamide
CID 137349070
4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide
CID 137349062
4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzene-1-sulfonamide
CID 23647652
4-(5-{1-[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]ethyl}furan-2-yl)benzene-1-sulfonamide
CID 23647659
N-[2-(dimethylamino)ethyl]-4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
CID 23647653
[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[4-(5-methylfuran-2-yl)phenyl]sulfonylpiperazin-2-yl]methanone
CID 44570965
N-[2-(dimethylamino)ethyl]-4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 137628998
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 6372473

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one (CID 23647654) is (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is NC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)o2)S1.
What is the InChIKey of (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?
The InChIKey is UDDCMASGEGKOHK-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c19-18-21-17(23)16(27-18)11-13-3-6-15(26-13)12-1-4-14(5-2-12)28(24,25)22-9-7-20-8-10-22/h1-6,11,20H,7-10H2,(H2,19,21,23)/b16-11-.
What are the key properties of (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one has a molecular weight of 418.50 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[[5-(4-piperazin-1-ylsulfonylphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 23647654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).