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

C10H11N3O2S2 — CID 63569329

IUPAC4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COCc2cccs2)cs1
InChIInChI=1S/C10H11N3O2S2/c11-13-9(14)10-12-7(6-17-10)4-15-5-8-2-1-3-16-8/h1-3,6H,4-5,11H2,(H,13,14)
InChIKeyKMJXOBOURBSINQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.52
Rot. Bonds5

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

4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63569329) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63569329
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COCc2cccs2)cs1
InChIInChI=1S/C10H11N3O2S2/c11-13-9(14)10-12-7(6-17-10)4-15-5-8-2-1-3-16-8/h1-3,6H,4-5,11H2,(H,13,14)
InChIKeyKMJXOBOURBSINQ-UHFFFAOYSA-N
XLogP1.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.52
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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Related Compounds

4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63570034
4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 131747491
4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63571274
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213802
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63570853
4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
4-[(4-acetyl-3-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107718996

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide (CID 63569329) is 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COCc2cccs2)cs1.
What is the InChIKey of 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is KMJXOBOURBSINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c11-13-9(14)10-12-7(6-17-10)4-15-5-8-2-1-3-16-8/h1-3,6H,4-5,11H2,(H,13,14).
What are the key properties of 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide?
4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 269.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63569329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).