5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide

C11H14N4O2S — CID 63571789

IUPAC5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(Cc1cc(C(=O)NN)no1)Cc1cccs1
InChIInChI=1S/C11H14N4O2S/c1-15(7-9-3-2-4-18-9)6-8-5-10(14-17-8)11(16)13-12/h2-5H,6-7,12H2,1H3,(H,13,16)
InChIKeyHUGZEOGWLPHTBV-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.97
Rot. Bonds5

About 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide

5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63571789) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63571789
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(Cc1cc(C(=O)NN)no1)Cc1cccs1
InChIInChI=1S/C11H14N4O2S/c1-15(7-9-3-2-4-18-9)6-8-5-10(14-17-8)11(16)13-12/h2-5H,6-7,12H2,1H3,(H,13,16)
InChIKeyHUGZEOGWLPHTBV-UHFFFAOYSA-N
XLogP0.97
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.97
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'}

Analyze 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 79494594
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585244
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63585313
N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23822532
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 63583631
5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585819

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 63571789) is 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CN(Cc1cc(C(=O)NN)no1)Cc1cccs1.
What is the InChIKey of 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is HUGZEOGWLPHTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15(7-9-3-2-4-18-9)6-8-5-10(14-17-8)11(16)13-12/h2-5H,6-7,12H2,1H3,(H,13,16).
What are the key properties of 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 266.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63571789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).