N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide

C16H11ClF3N3OS — CID 139983801

IUPACN'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(NNCc1csc2ccc(Cl)cc12)c1cnccc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N3OS/c17-10-1-2-14-11(5-10)9(8-25-14)6-22-23-15(24)12-7-21-4-3-13(12)16(18,19)20/h1-5,7-8,22H,6H2,(H,23,24)
InChIKeyQBDRVBHXCOTKKN-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.40
Rot. Bonds4

About N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide

N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 139983801) has the molecular formula C16H11ClF3N3OS and a molecular weight of 385.80 g/mol. Its IUPAC name is N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID139983801
Molecular FormulaC16H11ClF3N3OS
Molecular Weight385.80 g/mol
Exact Mass385.03
IUPAC NameN'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(NNCc1csc2ccc(Cl)cc12)c1cnccc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N3OS/c17-10-1-2-14-11(5-10)9(8-25-14)6-22-23-15(24)12-7-21-4-3-13(12)16(18,19)20/h1-5,7-8,22H,6H2,(H,23,24)
InChIKeyQBDRVBHXCOTKKN-UHFFFAOYSA-N
XLogP4.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
CID 67581521
4-tert-butyl-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzamide
CID 2732812
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121365059
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
5-chloro-3-[(sulfinatoamino)methyl]-1-benzothiophene
CID 68982831
2-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-2-oxoethoxy]acetic acid
CID 2811466

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide (CID 139983801) is N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide is O=C(NNCc1csc2ccc(Cl)cc12)c1cnccc1C(F)(F)F.
What is the InChIKey of N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is QBDRVBHXCOTKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3OS/c17-10-1-2-14-11(5-10)9(8-25-14)6-22-23-15(24)12-7-21-4-3-13(12)16(18,19)20/h1-5,7-8,22H,6H2,(H,23,24).
What are the key properties of N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 385.80 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 139983801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).