N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide

C14H10N2O3S — CID 1379458

IUPACN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccco1
InChIInChI=1S/C14H10N2O3S/c17-12-9-20-14(15-13(18)11-7-4-8-19-11)16(12)10-5-2-1-3-6-10/h1-8H,9H2/b15-14-
InChIKeyYKBLNGINJMGMTG-PFONDFGASA-N
MW286.31 g/mol
LogP2.56
Rot. Bonds2

About N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide

N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide (PubChem CID 1379458) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide
PubChem CID1379458
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC NameN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccco1
InChIInChI=1S/C14H10N2O3S/c17-12-9-20-14(15-13(18)11-7-4-8-19-11)16(12)10-5-2-1-3-6-10/h1-8H,9H2/b15-14-
InChIKeyYKBLNGINJMGMTG-PFONDFGASA-N
XLogP2.56
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Chlorophenyl)imino]-3-(2-furylmethyl)-1,3-thiazolan-4-one
CID 557423
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 6884314
N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-furamide
CID 1379493
(Z)-5-((E)-3-(furan-2-yl)allylidene)-3-phenylthiazolidine-2,4-dione
CID 6376784
3-(2-Furylmethyl)-2-[(2-methoxyphenyl)imino]-1,3-thiazolan-4-one
CID 327073
(7Z)-7-(furan-2-ylmethylidene)-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1584470
(Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2(3H)-ylidene) furan-2-carboxamide (3j)
CID 118987405
N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 958964
N-[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 977882
5-(2-Furylmethylene)-3-methyl-2-{[4-(4-morpholinyl)phenyl]imino}-1,3-thiazolidin-4-one
CID 1778296
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 2159198
(Z)-N-(3-ethyl-4-fluorobenzo[d]thiazol-2(3H)-ylidene)furan-2-carboxamide
CID 2159206

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide (CID 1379458) is N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide is O=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccco1.
What is the InChIKey of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide?
The InChIKey is YKBLNGINJMGMTG-PFONDFGASA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-12-9-20-14(15-13(18)11-7-4-8-19-11)16(12)10-5-2-1-3-6-10/h1-8H,9H2/b15-14-.
What are the key properties of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide?
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 1379458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).