N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide

C14H8ClF2N3OS — CID 7105594

IUPACN'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
SMILESO=C(NNc1nc2c(Cl)cccc2s1)c1c(F)cccc1F
InChIInChI=1S/C14H8ClF2N3OS/c15-7-3-1-6-10-12(7)18-14(22-10)20-19-13(21)11-8(16)4-2-5-9(11)17/h1-6H,(H,18,20)(H,19,21)
InChIKeyFTVXUUTWBDPXEE-UHFFFAOYSA-N
MW339.75 g/mol
LogP3.98
Rot. Bonds3

About N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide

N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide (PubChem CID 7105594) has the molecular formula C14H8ClF2N3OS and a molecular weight of 339.75 g/mol. Its IUPAC name is N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
PubChem CID7105594
Molecular FormulaC14H8ClF2N3OS
Molecular Weight339.75 g/mol
Exact Mass339.00
IUPAC NameN'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
SMILESO=C(NNc1nc2c(Cl)cccc2s1)c1c(F)cccc1F
InChIInChI=1S/C14H8ClF2N3OS/c15-7-3-1-6-10-12(7)18-14(22-10)20-19-13(21)11-8(16)4-2-5-9(11)17/h1-6H,(H,18,20)(H,19,21)
InChIKeyFTVXUUTWBDPXEE-UHFFFAOYSA-N
XLogP3.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 53.98
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

2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953122
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953256
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7599822
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615215
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
CID 7105566
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide?
The IUPAC name of N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide (CID 7105594) is N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide.
What is the SMILES notation for N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide?
The canonical SMILES for N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide is O=C(NNc1nc2c(Cl)cccc2s1)c1c(F)cccc1F.
What is the InChIKey of N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide?
The InChIKey is FTVXUUTWBDPXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3OS/c15-7-3-1-6-10-12(7)18-14(22-10)20-19-13(21)11-8(16)4-2-5-9(11)17/h1-6H,(H,18,20)(H,19,21).
What are the key properties of N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide?
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide has a molecular weight of 339.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide is sourced from PubChem (CID 7105594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).