3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide

C10H12N4OS2 — CID 63639574

IUPAC3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCn1cc(SCc2ccsc2C(=O)NN)cn1
InChIInChI=1S/C10H12N4OS2/c1-14-5-8(4-12-14)17-6-7-2-3-16-9(7)10(15)13-11/h2-5H,6,11H2,1H3,(H,13,15)
InChIKeyGMEIFBIWBAOKRG-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.38
Rot. Bonds4

About 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide

3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 63639574) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID63639574
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCn1cc(SCc2ccsc2C(=O)NN)cn1
InChIInChI=1S/C10H12N4OS2/c1-14-5-8(4-12-14)17-6-7-2-3-16-9(7)10(15)13-11/h2-5H,6,11H2,1H3,(H,13,15)
InChIKeyGMEIFBIWBAOKRG-UHFFFAOYSA-N
XLogP1.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.38
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 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 63639574) is 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide is Cn1cc(SCc2ccsc2C(=O)NN)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is GMEIFBIWBAOKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-14-5-8(4-12-14)17-6-7-2-3-16-9(7)10(15)13-11/h2-5H,6,11H2,1H3,(H,13,15).
What are the key properties of 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 268.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63639574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).