N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide

C20H15ClF3N3OS — CID 1485137

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide
SMILESCN(NC(=O)C(=Cc1cccs1)c1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C20H15ClF3N3OS/c1-27(18-17(21)10-14(12-25-18)20(22,23)24)26-19(28)16(11-15-8-5-9-29-15)13-6-3-2-4-7-13/h2-12H,1H3,(H,26,28)
InChIKeyWLTHTNFYOVHENE-UHFFFAOYSA-N
MW437.87 g/mol
LogP5.52
Rot. Bonds5

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide (PubChem CID 1485137) has the molecular formula C20H15ClF3N3OS and a molecular weight of 437.87 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide
PubChem CID1485137
Molecular FormulaC20H15ClF3N3OS
Molecular Weight437.87 g/mol
Exact Mass437.06
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide
SMILESCN(NC(=O)C(=Cc1cccs1)c1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C20H15ClF3N3OS/c1-27(18-17(21)10-14(12-25-18)20(22,23)24)26-19(28)16(11-15-8-5-9-29-15)13-6-3-2-4-7-13/h2-12H,1H3,(H,26,28)
InChIKeyWLTHTNFYOVHENE-UHFFFAOYSA-N
XLogP5.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.87
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-(methoxyiminomethyl)urea
CID 135426551
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 9113454
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxamide
CID 3252409
N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide
CID 997452
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135439666
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide
CID 166230829
(3S)-3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one
CID 6976639
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 4188468
(3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide
CID 40822556
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-propan-2-ylamino]acetic acid
CID 60829528

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide (CID 1485137) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide is CN(NC(=O)C(=Cc1cccs1)c1ccccc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide?
The InChIKey is WLTHTNFYOVHENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3OS/c1-27(18-17(21)10-14(12-25-18)20(22,23)24)26-19(28)16(11-15-8-5-9-29-15)13-6-3-2-4-7-13/h2-12H,1H3,(H,26,28).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide has a molecular weight of 437.87 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide is sourced from PubChem (CID 1485137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).