[3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide

C15H10FN3O2S — CID 162643711

IUPAC[3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1C(=O)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H10FN3O2S/c16-11-3-1-2-10(8-11)12-4-5-13(21-12)14(20)19-6-7-22-15(19)18-9-17/h1-5,8H,6-7H2/b18-15-
InChIKeyCPZRKMFOWVVNBS-SDXDJHTJSA-N
MW315.33 g/mol
LogP3.11
Rot. Bonds2

About [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide

[3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 162643711) has the molecular formula C15H10FN3O2S and a molecular weight of 315.33 g/mol. Its IUPAC name is [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID162643711
Molecular FormulaC15H10FN3O2S
Molecular Weight315.33 g/mol
Exact Mass315.05
IUPAC Name[3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1C(=O)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H10FN3O2S/c16-11-3-1-2-10(8-11)12-4-5-13(21-12)14(20)19-6-7-22-15(19)18-9-17/h1-5,8H,6-7H2/b18-15-
InChIKeyCPZRKMFOWVVNBS-SDXDJHTJSA-N
XLogP3.11
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide (CID 162643711) is [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide is N#C/N=C1\SCCN1C(=O)c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is CPZRKMFOWVVNBS-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10FN3O2S/c16-11-3-1-2-10(8-11)12-4-5-13(21-12)14(20)19-6-7-22-15(19)18-9-17/h1-5,8H,6-7H2/b18-15-.
What are the key properties of [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
[3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 315.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3-fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 162643711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).