N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide

C12H10N4O2S — CID 39353137

IUPACN'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide
SMILESO=C(N/N=C\c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H10N4O2S/c17-10(15-12-13-6-7-19-12)11(18)16-14-8-9-4-2-1-3-5-9/h1-8H,(H,16,18)(H,13,15,17)/b14-8-
InChIKeyPRRBVPCOCQUWNI-ZSOIEALJSA-N
MW274.31 g/mol
LogP1.23
Rot. Bonds3

About N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide

N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide (PubChem CID 39353137) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide
PubChem CID39353137
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC NameN'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide
SMILESO=C(N/N=C\c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H10N4O2S/c17-10(15-12-13-6-7-19-12)11(18)16-14-8-9-4-2-1-3-5-9/h1-8H,(H,16,18)(H,13,15,17)/b14-8-
InChIKeyPRRBVPCOCQUWNI-ZSOIEALJSA-N
XLogP1.23
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide (CID 39353137) is N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide is O=C(N/N=C\c1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide?
The InChIKey is PRRBVPCOCQUWNI-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-10(15-12-13-6-7-19-12)11(18)16-14-8-9-4-2-1-3-5-9/h1-8H,(H,16,18)(H,13,15,17)/b14-8-.
What are the key properties of N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide?
N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide has a molecular weight of 274.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 39353137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).