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

C16H13F2N3O3S — CID 7600062

IUPACN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)c1OC
InChIInChI=1S/C16H13F2N3O3S/c1-23-11-5-3-4-9(14(11)24-2)15(22)20-21-16-19-13-10(18)6-8(17)7-12(13)25-16/h3-7H,1-2H3,(H,19,21)(H,20,22)
InChIKeyMFUCEODSYQKCGA-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.35
Rot. Bonds5

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

N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide (PubChem CID 7600062) has the molecular formula C16H13F2N3O3S and a molecular weight of 365.36 g/mol. Its IUPAC name is N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
PubChem CID7600062
Molecular FormulaC16H13F2N3O3S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC NameN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)c1OC
InChIInChI=1S/C16H13F2N3O3S/c1-23-11-5-3-4-9(14(11)24-2)15(22)20-21-16-19-13-10(18)6-8(17)7-12(13)25-16/h3-7H,1-2H3,(H,19,21)(H,20,22)
InChIKeyMFUCEODSYQKCGA-UHFFFAOYSA-N
XLogP3.35
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxybenzohydrazide
CID 7105713
N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600552
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide
CID 7600080
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600418
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 41116447
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The IUPAC name of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide (CID 7600062) is N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide is COc1cccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)c1OC.
What is the InChIKey of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The InChIKey is MFUCEODSYQKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S/c1-23-11-5-3-4-9(14(11)24-2)15(22)20-21-16-19-13-10(18)6-8(17)7-12(13)25-16/h3-7H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide has a molecular weight of 365.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide is sourced from PubChem (CID 7600062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).