4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide

C11H17N3O3S — CID 63571274

IUPAC4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COCC2CCOCC2)cs1
InChIInChI=1S/C11H17N3O3S/c12-14-10(15)11-13-9(7-18-11)6-17-5-8-1-3-16-4-2-8/h7-8H,1-6,12H2,(H,14,15)
InChIKeyQWCQPVXOCBKZRQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.69
Rot. Bonds5

About 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide

4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63571274) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63571274
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COCC2CCOCC2)cs1
InChIInChI=1S/C11H17N3O3S/c12-14-10(15)11-13-9(7-18-11)6-17-5-8-1-3-16-4-2-8/h7-8H,1-6,12H2,(H,14,15)
InChIKeyQWCQPVXOCBKZRQ-UHFFFAOYSA-N
XLogP0.69
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide (CID 63571274) is 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COCC2CCOCC2)cs1.
What is the InChIKey of 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is QWCQPVXOCBKZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-14-10(15)11-13-9(7-18-11)6-17-5-8-1-3-16-4-2-8/h7-8H,1-6,12H2,(H,14,15).
What are the key properties of 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide?
4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 271.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63571274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).