N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide

C9H9N3O2S2 — CID 144716050

IUPACN-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide
SMILESCN1C(=O)CS/C1=N/NC(=O)c1cccs1
InChIInChI=1S/C9H9N3O2S2/c1-12-7(13)5-16-9(12)11-10-8(14)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,14)/b11-9+
InChIKeyPXHOMLMREHWOJZ-PKNBQFBNSA-N
MW255.32 g/mol
LogP0.95
Rot. Bonds2

About N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide

N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide (PubChem CID 144716050) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide
PubChem CID144716050
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC NameN-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide
SMILESCN1C(=O)CS/C1=N/NC(=O)c1cccs1
InChIInChI=1S/C9H9N3O2S2/c1-12-7(13)5-16-9(12)11-10-8(14)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,14)/b11-9+
InChIKeyPXHOMLMREHWOJZ-PKNBQFBNSA-N
XLogP0.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide (CID 144716050) is N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide is CN1C(=O)CS/C1=N/NC(=O)c1cccs1.
What is the InChIKey of N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide?
The InChIKey is PXHOMLMREHWOJZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-12-7(13)5-16-9(12)11-10-8(14)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,14)/b11-9+.
What are the key properties of N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide?
N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide is sourced from PubChem (CID 144716050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).