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

C16H15N3O2S — CID 162670348

IUPAC[3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESCOc1ccc(-c2ccc(CN3CCS/C3=N\C#N)o2)cc1
InChIInChI=1S/C16H15N3O2S/c1-20-13-4-2-12(3-5-13)15-7-6-14(21-15)10-19-8-9-22-16(19)18-11-17/h2-7H,8-10H2,1H3/b18-16-
InChIKeyIXQAYEKDNULYKK-VLGSPTGOSA-N
MW313.38 g/mol
LogP3.34
Rot. Bonds4

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

[3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 162670348) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is [3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID162670348
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name[3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESCOc1ccc(-c2ccc(CN3CCS/C3=N\C#N)o2)cc1
InChIInChI=1S/C16H15N3O2S/c1-20-13-4-2-12(3-5-13)15-7-6-14(21-15)10-19-8-9-22-16(19)18-11-17/h2-7H,8-10H2,1H3/b18-16-
InChIKeyIXQAYEKDNULYKK-VLGSPTGOSA-N
XLogP3.34
TPSA61.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.34
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-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide (CID 162670348) is [3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide is COc1ccc(-c2ccc(CN3CCS/C3=N\C#N)o2)cc1.
What is the InChIKey of [3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is IXQAYEKDNULYKK-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-20-13-4-2-12(3-5-13)15-7-6-14(21-15)10-19-8-9-22-16(19)18-11-17/h2-7H,8-10H2,1H3/b18-16-.
What are the key properties of [3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
[3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 313.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(4-methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 162670348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).