N'-propan-2-ylthiophene-2-carbohydrazide

C8H12N2OS — CID 59642166

IUPACN'-propan-2-ylthiophene-2-carbohydrazide
SMILESCC(C)NNC(=O)c1cccs1
InChIInChI=1S/C8H12N2OS/c1-6(2)9-10-8(11)7-4-3-5-12-7/h3-6,9H,1-2H3,(H,10,11)
InChIKeyTWDGZRWTXHNKBZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.39
Rot. Bonds3

About N'-propan-2-ylthiophene-2-carbohydrazide

N'-propan-2-ylthiophene-2-carbohydrazide (PubChem CID 59642166) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N'-propan-2-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-propan-2-ylthiophene-2-carbohydrazide
PubChem CID59642166
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN'-propan-2-ylthiophene-2-carbohydrazide
SMILESCC(C)NNC(=O)c1cccs1
InChIInChI=1S/C8H12N2OS/c1-6(2)9-10-8(11)7-4-3-5-12-7/h3-6,9H,1-2H3,(H,10,11)
InChIKeyTWDGZRWTXHNKBZ-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-propan-2-ylthiophene-2-carbohydrazide (CID 59642166) is N'-propan-2-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-propan-2-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-propan-2-ylthiophene-2-carbohydrazide is CC(C)NNC(=O)c1cccs1.
What is the InChIKey of N'-propan-2-ylthiophene-2-carbohydrazide?
The InChIKey is TWDGZRWTXHNKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(2)9-10-8(11)7-4-3-5-12-7/h3-6,9H,1-2H3,(H,10,11).
What are the key properties of N'-propan-2-ylthiophene-2-carbohydrazide?
N'-propan-2-ylthiophene-2-carbohydrazide has a molecular weight of 184.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 59642166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).