(2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol

C6H9N3O2S — CID 20699467

IUPAC(2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol
SMILESCNc1nc(/C(CO)=N/O)cs1
InChIInChI=1S/C6H9N3O2S/c1-7-6-8-5(3-12-6)4(2-10)9-11/h3,10-11H,2H2,1H3,(H,7,8)/b9-4+
InChIKeyOXJMIFUUTZOQNY-RUDMXATFSA-N
MW187.22 g/mol
LogP0.36
Rot. Bonds3

About (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol

(2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol (PubChem CID 20699467) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol
PubChem CID20699467
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name(2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol
SMILESCNc1nc(/C(CO)=N/O)cs1
InChIInChI=1S/C6H9N3O2S/c1-7-6-8-5(3-12-6)4(2-10)9-11/h3,10-11H,2H2,1H3,(H,7,8)/b9-4+
InChIKeyOXJMIFUUTZOQNY-RUDMXATFSA-N
XLogP0.36
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(methylamino)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol (CID 20699467) is (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol is CNc1nc(/C(CO)=N/O)cs1.
What is the InChIKey of (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol?
The InChIKey is OXJMIFUUTZOQNY-RUDMXATFSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-7-6-8-5(3-12-6)4(2-10)9-11/h3,10-11H,2H2,1H3,(H,7,8)/b9-4+.
What are the key properties of (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol?
(2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol has a molecular weight of 187.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 20699467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).