N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide

C14H9ClN2O3S — CID 1379493

IUPACN-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccccc1Cl)c1ccco1
InChIInChI=1S/C14H9ClN2O3S/c15-9-4-1-2-5-10(9)17-12(18)8-21-14(17)16-13(19)11-6-3-7-20-11/h1-7H,8H2/b16-14-
InChIKeyCOHPYTDKVWIDFI-PEZBUJJGSA-N
MW320.76 g/mol
LogP3.21
Rot. Bonds2

About N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide

N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide (PubChem CID 1379493) has the molecular formula C14H9ClN2O3S and a molecular weight of 320.76 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide
PubChem CID1379493
Molecular FormulaC14H9ClN2O3S
Molecular Weight320.76 g/mol
Exact Mass320.00
IUPAC NameN-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccccc1Cl)c1ccco1
InChIInChI=1S/C14H9ClN2O3S/c15-9-4-1-2-5-10(9)17-12(18)8-21-14(17)16-13(19)11-6-3-7-20-11/h1-7H,8H2/b16-14-
InChIKeyCOHPYTDKVWIDFI-PEZBUJJGSA-N
XLogP3.21
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide?
The IUPAC name of N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide (CID 1379493) is N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide is O=C(/N=C1\SCC(=O)N1c1ccccc1Cl)c1ccco1.
What is the InChIKey of N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide?
The InChIKey is COHPYTDKVWIDFI-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H9ClN2O3S/c15-9-4-1-2-5-10(9)17-12(18)8-21-14(17)16-13(19)11-6-3-7-20-11/h1-7H,8H2/b16-14-.
What are the key properties of N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide?
N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide has a molecular weight of 320.76 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide is sourced from PubChem (CID 1379493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).