N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide

C20H17N5O2S — CID 11090447

IUPACN-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN1C(=O)/C(=C/c2ccccc2)SC1c1ccccc1
InChIInChI=1S/C20H17N5O2S/c26-18(12-24-14-21-13-22-24)23-25-19(27)17(11-15-7-3-1-4-8-15)28-20(25)16-9-5-2-6-10-16/h1-11,13-14,20H,12H2,(H,23,26)/b17-11-
InChIKeyMSEZJBQEKSAZHD-BOPFTXTBSA-N
MW391.46 g/mol
LogP2.62
Rot. Bonds5

About N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 11090447) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID11090447
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN1C(=O)/C(=C/c2ccccc2)SC1c1ccccc1
InChIInChI=1S/C20H17N5O2S/c26-18(12-24-14-21-13-22-24)23-25-19(27)17(11-15-7-3-1-4-8-15)28-20(25)16-9-5-2-6-10-16/h1-11,13-14,20H,12H2,(H,23,26)/b17-11-
InChIKeyMSEZJBQEKSAZHD-BOPFTXTBSA-N
XLogP2.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 11090447) is N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NN1C(=O)/C(=C/c2ccccc2)SC1c1ccccc1.
What is the InChIKey of N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is MSEZJBQEKSAZHD-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-18(12-24-14-21-13-22-24)23-25-19(27)17(11-15-7-3-1-4-8-15)28-20(25)16-9-5-2-6-10-16/h1-11,13-14,20H,12H2,(H,23,26)/b17-11-.
What are the key properties of N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 391.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 11090447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).