3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide

C13H11Cl3N2OS — CID 30859132

IUPAC3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide
SMILESO=C(CCc1cccs1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2OS/c14-8-6-10(15)13(11(16)7-8)18-17-12(19)4-3-9-2-1-5-20-9/h1-2,5-7,18H,3-4H2,(H,17,19)
InChIKeySMOFIJOBUAYPDT-UHFFFAOYSA-N
MW349.67 g/mol
LogP4.78
Rot. Bonds5

About 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide

3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide (PubChem CID 30859132) has the molecular formula C13H11Cl3N2OS and a molecular weight of 349.67 g/mol. Its IUPAC name is 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide.

Molecular Properties

Compound Name3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide
PubChem CID30859132
Molecular FormulaC13H11Cl3N2OS
Molecular Weight349.67 g/mol
Exact Mass347.97
IUPAC Name3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide
SMILESO=C(CCc1cccs1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2OS/c14-8-6-10(15)13(11(16)7-8)18-17-12(19)4-3-9-2-1-5-20-9/h1-2,5-7,18H,3-4H2,(H,17,19)
InChIKeySMOFIJOBUAYPDT-UHFFFAOYSA-N
XLogP4.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.67
LogP ≤ 54.78
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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Related Compounds

2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 27834779
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 30859496
1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one
CID 79786683
2-(4-hydroxyphenyl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 78838857
N'-(2-naphthalen-1-ylacetyl)-3-thiophen-2-ylpropanehydrazide
CID 42386767
N-(4-chlorophenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24540531
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide
CID 47365771
1-(3-amino-4-chlorophenyl)-3-thiophen-2-ylpropan-1-one
CID 116552251

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The IUPAC name of 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide (CID 30859132) is 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide.
What is the SMILES notation for 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The canonical SMILES for 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide is O=C(CCc1cccs1)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The InChIKey is SMOFIJOBUAYPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2OS/c14-8-6-10(15)13(11(16)7-8)18-17-12(19)4-3-9-2-1-5-20-9/h1-2,5-7,18H,3-4H2,(H,17,19).
What are the key properties of 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide?
3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide has a molecular weight of 349.67 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide is sourced from PubChem (CID 30859132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).