N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

C16H10ClN3O5S — CID 21208573

IUPACN-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)S1
InChIInChI=1S/C16H10ClN3O5S/c1-8(21)18-16-19-15(22)14(26-16)7-10-3-5-13(25-10)11-6-9(17)2-4-12(11)20(23)24/h2-7H,1H3,(H,18,19,21,22)/b14-7-
InChIKeyOTACFYFJKIZRKA-AUWJEWJLSA-N
MW391.79 g/mol
LogP3.61
Rot. Bonds3

About N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (PubChem CID 21208573) has the molecular formula C16H10ClN3O5S and a molecular weight of 391.79 g/mol. Its IUPAC name is N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
PubChem CID21208573
Molecular FormulaC16H10ClN3O5S
Molecular Weight391.79 g/mol
Exact Mass391.00
IUPAC NameN-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)S1
InChIInChI=1S/C16H10ClN3O5S/c1-8(21)18-16-19-15(22)14(26-16)7-10-3-5-13(25-10)11-6-9(17)2-4-12(11)20(23)24/h2-7H,1H3,(H,18,19,21,22)/b14-7-
InChIKeyOTACFYFJKIZRKA-AUWJEWJLSA-N
XLogP3.61
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', '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

N-[5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1358751
N-[(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 5291266
N-[(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 5287296
N-[(5E)-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 6115145
N-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 118247395
N-[5-[(5-iodofuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1360683
N-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 7046594
(5Z)-2-amino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one;ethane
CID 144890918
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 6512023
N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide
CID 5292308
N-[4-[(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 18841001
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2248497

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (CID 21208573) is N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)S1.
What is the InChIKey of N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The InChIKey is OTACFYFJKIZRKA-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H10ClN3O5S/c1-8(21)18-16-19-15(22)14(26-16)7-10-3-5-13(25-10)11-6-9(17)2-4-12(11)20(23)24/h2-7H,1H3,(H,18,19,21,22)/b14-7-.
What are the key properties of N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.79 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 21208573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).