N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide

C15H11F2N3O2S — CID 7105713

IUPACN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H11F2N3O2S/c1-22-11-5-3-2-4-9(11)14(21)19-20-15-18-13-10(17)6-8(16)7-12(13)23-15/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyCBBOQNFHQWXAEY-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.34
Rot. Bonds4

About N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide

N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide (PubChem CID 7105713) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
PubChem CID7105713
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC NameN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H11F2N3O2S/c1-22-11-5-3-2-4-9(11)14(21)19-20-15-18-13-10(17)6-8(16)7-12(13)23-15/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyCBBOQNFHQWXAEY-UHFFFAOYSA-N
XLogP3.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600062
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide
CID 7600080
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
4-[[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 18553510
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide?
The IUPAC name of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide (CID 7105713) is N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide?
The canonical SMILES for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide?
The InChIKey is CBBOQNFHQWXAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c1-22-11-5-3-2-4-9(11)14(21)19-20-15-18-13-10(17)6-8(16)7-12(13)23-15/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide?
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide has a molecular weight of 335.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide is sourced from PubChem (CID 7105713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).