2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one

C7H8N4OS — CID 172639911

IUPAC2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1cc(/N=C2/NC(=O)CS2)n[nH]1
InChIInChI=1S/C7H8N4OS/c1-4-2-5(11-10-4)8-7-9-6(12)3-13-7/h2H,3H2,1H3,(H2,8,9,10,11,12)
InChIKeyASBJHLVDRYRJJS-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.57
Rot. Bonds1

About 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one

2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 172639911) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one
PubChem CID172639911
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1cc(/N=C2/NC(=O)CS2)n[nH]1
InChIInChI=1S/C7H8N4OS/c1-4-2-5(11-10-4)8-7-9-6(12)3-13-7/h2H,3H2,1H3,(H2,8,9,10,11,12)
InChIKeyASBJHLVDRYRJJS-UHFFFAOYSA-N
XLogP0.57
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one (CID 172639911) is 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one is Cc1cc(/N=C2/NC(=O)CS2)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is ASBJHLVDRYRJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4-2-5(11-10-4)8-7-9-6(12)3-13-7/h2H,3H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one?
2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 196.24 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172639911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).