N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide

C17H10F5N3O2S — CID 86912306

IUPACN'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
SMILESO=C(NNc1c(F)c(F)c(F)c(F)c1F)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C17H10F5N3O2S/c18-11-12(19)14(21)16(15(22)13(11)20)24-25-17(26)8-2-1-3-10(4-8)27-5-9-6-28-7-23-9/h1-4,6-7,24H,5H2,(H,25,26)
InChIKeyHJIHQXIJNIRUMJ-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.17
Rot. Bonds6

About N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide

N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide (PubChem CID 86912306) has the molecular formula C17H10F5N3O2S and a molecular weight of 415.34 g/mol. Its IUPAC name is N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
PubChem CID86912306
Molecular FormulaC17H10F5N3O2S
Molecular Weight415.34 g/mol
Exact Mass415.04
IUPAC NameN'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
SMILESO=C(NNc1c(F)c(F)c(F)c(F)c1F)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C17H10F5N3O2S/c18-11-12(19)14(21)16(15(22)13(11)20)24-25-17(26)8-2-1-3-10(4-8)27-5-9-6-28-7-23-9/h1-4,6-7,24H,5H2,(H,25,26)
InChIKeyHJIHQXIJNIRUMJ-UHFFFAOYSA-N
XLogP4.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
(2,3-difluorophenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55451408
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967198
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87018846

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide?
The IUPAC name of N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide (CID 86912306) is N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide is O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide?
The InChIKey is HJIHQXIJNIRUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N3O2S/c18-11-12(19)14(21)16(15(22)13(11)20)24-25-17(26)8-2-1-3-10(4-8)27-5-9-6-28-7-23-9/h1-4,6-7,24H,5H2,(H,25,26).
What are the key properties of N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide?
N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide has a molecular weight of 415.34 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide is sourced from PubChem (CID 86912306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).