2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide

C5H7N3O2S — CID 135495935

IUPAC2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide
SMILESNC(=O)C(=NO)C1=NCCS1
InChIInChI=1S/C5H7N3O2S/c6-4(9)3(8-10)5-7-1-2-11-5/h10H,1-2H2,(H2,6,9)
InChIKeyQMDBILTVJYJPKL-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.55
Rot. Bonds2

About 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide

2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide (PubChem CID 135495935) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide
PubChem CID135495935
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide
SMILESNC(=O)C(=NO)C1=NCCS1
InChIInChI=1S/C5H7N3O2S/c6-4(9)3(8-10)5-7-1-2-11-5/h10H,1-2H2,(H2,6,9)
InChIKeyQMDBILTVJYJPKL-UHFFFAOYSA-N
XLogP-0.55
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.55
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 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide (CID 135495935) is 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide is NC(=O)C(=NO)C1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide?
The InChIKey is QMDBILTVJYJPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c6-4(9)3(8-10)5-7-1-2-11-5/h10H,1-2H2,(H2,6,9).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide?
2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide has a molecular weight of 173.20 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 135495935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).