(2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C6H7N3O2S — CID 135650325

IUPAC(2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(/C(=N\O)C(N)=O)n1
InChIInChI=1S/C6H7N3O2S/c1-3-2-12-6(8-3)4(9-11)5(7)10/h2,11H,1H3,(H2,7,10)/b9-4-
InChIKeySDSDHKDHHRJEFK-WTKPLQERSA-N
MW185.21 g/mol
LogP0.12
Rot. Bonds2

About (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide

(2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 135650325) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID135650325
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name(2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(/C(=N\O)C(N)=O)n1
InChIInChI=1S/C6H7N3O2S/c1-3-2-12-6(8-3)4(9-11)5(7)10/h2,11H,1H3,(H2,7,10)/b9-4-
InChIKeySDSDHKDHHRJEFK-WTKPLQERSA-N
XLogP0.12
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 135650325) is (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(/C(=N\O)C(N)=O)n1.
What is the InChIKey of (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SDSDHKDHHRJEFK-WTKPLQERSA-N. The full InChI is InChI=1S/C6H7N3O2S/c1-3-2-12-6(8-3)4(9-11)5(7)10/h2,11H,1H3,(H2,7,10)/b9-4-.
What are the key properties of (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
(2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 185.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135650325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).