[3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide

C16H13N3O3S — CID 162676508

IUPAC[3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCS/C3=N\C#N)o2)cc1
InChIInChI=1S/C16H13N3O3S/c1-21-12-4-2-11(3-5-12)13-6-7-14(22-13)15(20)19-8-9-23-16(19)18-10-17/h2-7H,8-9H2,1H3/b18-16-
InChIKeyYPYSXVHYENHSJJ-VLGSPTGOSA-N
MW327.37 g/mol
LogP2.98
Rot. Bonds3

About [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide

[3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 162676508) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID162676508
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name[3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCS/C3=N\C#N)o2)cc1
InChIInChI=1S/C16H13N3O3S/c1-21-12-4-2-11(3-5-12)13-6-7-14(22-13)15(20)19-8-9-23-16(19)18-10-17/h2-7H,8-9H2,1H3/b18-16-
InChIKeyYPYSXVHYENHSJJ-VLGSPTGOSA-N
XLogP2.98
TPSA78.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide (CID 162676508) is [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide is COc1ccc(-c2ccc(C(=O)N3CCS/C3=N\C#N)o2)cc1.
What is the InChIKey of [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is YPYSXVHYENHSJJ-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-21-12-4-2-11(3-5-12)13-6-7-14(22-13)15(20)19-8-9-23-16(19)18-10-17/h2-7H,8-9H2,1H3/b18-16-.
What are the key properties of [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
[3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 327.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 162676508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).