N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide

C17H14N4O5S — CID 135629078

IUPACN-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
SMILESCC(=O)N/N=C1/NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)S1
InChIInChI=1S/C17H14N4O5S/c1-9-12(4-3-5-13(9)21(24)25)14-7-6-11(26-14)8-15-16(23)18-17(27-15)20-19-10(2)22/h3-8H,1-2H3,(H,19,22)(H,18,20,23)/b15-8-
InChIKeySTFOGALGDHJMBC-NVNXTCNLSA-N
MW386.39 g/mol
LogP2.77
Rot. Bonds4

About N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide

N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide (PubChem CID 135629078) has the molecular formula C17H14N4O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
PubChem CID135629078
Molecular FormulaC17H14N4O5S
Molecular Weight386.39 g/mol
Exact Mass386.07
IUPAC NameN-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
SMILESCC(=O)N/N=C1/NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)S1
InChIInChI=1S/C17H14N4O5S/c1-9-12(4-3-5-13(9)21(24)25)14-7-6-11(26-14)8-15-16(23)18-17(27-15)20-19-10(2)22/h3-8H,1-2H3,(H,19,22)(H,18,20,23)/b15-8-
InChIKeySTFOGALGDHJMBC-NVNXTCNLSA-N
XLogP2.77
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 137003806
N-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]formamide
CID 140752039
2-(4-methylphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487186
methyl 2-[[(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834784
2-(3,5-dimethylphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135452175
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135699268
(5E)-2-naphthalen-1-ylimino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135844526
(5Z)-2-(2-methoxyphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782305
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 137077412
(5E)-2-(4-chlorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135844513
2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135413269
(5Z)-2-(4-chlorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782310

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide?
The IUPAC name of N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide (CID 135629078) is N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide.
What is the SMILES notation for N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide?
The canonical SMILES for N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide is CC(=O)N/N=C1/NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)S1.
What is the InChIKey of N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide?
The InChIKey is STFOGALGDHJMBC-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H14N4O5S/c1-9-12(4-3-5-13(9)21(24)25)14-7-6-11(26-14)8-15-16(23)18-17(27-15)20-19-10(2)22/h3-8H,1-2H3,(H,19,22)(H,18,20,23)/b15-8-.
What are the key properties of N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide?
N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide has a molecular weight of 386.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(5Z)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide is sourced from PubChem (CID 135629078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).