N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide

C14H12N2O2S — CID 809415

IUPACN'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C14H12N2O2S/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-10H,(H,15,17)(H,16,18)/b9-8+
InChIKeyNTDGYSNISYOMSM-CMDGGOBGSA-N
MW272.33 g/mol
LogP2.22
Rot. Bonds3

About N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide

N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide (PubChem CID 809415) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide
PubChem CID809415
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C14H12N2O2S/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-10H,(H,15,17)(H,16,18)/b9-8+
InChIKeyNTDGYSNISYOMSM-CMDGGOBGSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4961736
4-Cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
CID 838334
N'1-acetyl-3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carbohydrazide
CID 2820129
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6880299
N'-benzoylthiophene-2-carbohydrazide
CID 790437
3-Phenylthiophene-2-carboxamide
CID 22374565
3-Methylthiophene-2-carbohydrazide
CID 2760084
Thiophene-2-carbohydrazide
CID 73098
1-Benzothiophene-2-carbohydrazide
CID 519437
4-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 766481
2-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 809174
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide (CID 809415) is N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide is O=C(/C=C/c1ccccc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide?
The InChIKey is NTDGYSNISYOMSM-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-10H,(H,15,17)(H,16,18)/b9-8+.
What are the key properties of N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide?
N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide has a molecular weight of 272.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-phenylprop-2-enoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 809415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).