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

C7H11N3O2S — CID 20699473

IUPAC(2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol
SMILESCNc1nc(/C(CO)=N/OC)cs1
InChIInChI=1S/C7H11N3O2S/c1-8-7-9-6(4-13-7)5(3-11)10-12-2/h4,11H,3H2,1-2H3,(H,8,9)/b10-5+
InChIKeyGCGXGPJCEHTPSO-BJMVGYQFSA-N
MW201.25 g/mol
LogP0.53
Rot. Bonds4

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

(2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol (PubChem CID 20699473) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol
PubChem CID20699473
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name(2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol
SMILESCNc1nc(/C(CO)=N/OC)cs1
InChIInChI=1S/C7H11N3O2S/c1-8-7-9-6(4-13-7)5(3-11)10-12-2/h4,11H,3H2,1-2H3,(H,8,9)/b10-5+
InChIKeyGCGXGPJCEHTPSO-BJMVGYQFSA-N
XLogP0.53
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol (CID 20699473) is (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol is CNc1nc(/C(CO)=N/OC)cs1.
What is the InChIKey of (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol?
The InChIKey is GCGXGPJCEHTPSO-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-8-7-9-6(4-13-7)5(3-11)10-12-2/h4,11H,3H2,1-2H3,(H,8,9)/b10-5+.
What are the key properties of (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol?
(2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol has a molecular weight of 201.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 20699473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).