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

C16H14FN3O3S — CID 7105563

IUPACN'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3c(F)cccc3s2)c(OC)c1
InChIInChI=1S/C16H14FN3O3S/c1-22-9-6-7-10(12(8-9)23-2)15(21)19-20-16-18-14-11(17)4-3-5-13(14)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHZLQARFFGRJERL-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.21
Rot. Bonds5

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

N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide (PubChem CID 7105563) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
PubChem CID7105563
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3c(F)cccc3s2)c(OC)c1
InChIInChI=1S/C16H14FN3O3S/c1-22-9-6-7-10(12(8-9)23-2)15(21)19-20-16-18-14-11(17)4-3-5-13(14)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHZLQARFFGRJERL-UHFFFAOYSA-N
XLogP3.21
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.21
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-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600062
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide (CID 7105563) is N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNc2nc3c(F)cccc3s2)c(OC)c1.
What is the InChIKey of N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide?
The InChIKey is HZLQARFFGRJERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-22-9-6-7-10(12(8-9)23-2)15(21)19-20-16-18-14-11(17)4-3-5-13(14)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide?
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide has a molecular weight of 347.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide is sourced from PubChem (CID 7105563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).