3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide

C12H13N3O2S — CID 63640197

IUPAC3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide
SMILESCc1ccc(OCc2ccsc2C(=O)NN)cn1
InChIInChI=1S/C12H13N3O2S/c1-8-2-3-10(6-14-8)17-7-9-4-5-18-11(9)12(16)15-13/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyGYQFCQCMSMVEAP-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.63
Rot. Bonds4

About 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide

3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide (PubChem CID 63640197) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide
PubChem CID63640197
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide
SMILESCc1ccc(OCc2ccsc2C(=O)NN)cn1
InChIInChI=1S/C12H13N3O2S/c1-8-2-3-10(6-14-8)17-7-9-4-5-18-11(9)12(16)15-13/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyGYQFCQCMSMVEAP-UHFFFAOYSA-N
XLogP1.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide (CID 63640197) is 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide is Cc1ccc(OCc2ccsc2C(=O)NN)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide?
The InChIKey is GYQFCQCMSMVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-2-3-10(6-14-8)17-7-9-4-5-18-11(9)12(16)15-13/h2-6H,7,13H2,1H3,(H,15,16).
What are the key properties of 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide?
3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide has a molecular weight of 263.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).