N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide

C16H14FN3O3S — CID 7105629

IUPACN'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C16H14FN3O3S/c1-22-11-5-9(6-12(8-11)23-2)15(21)19-20-16-18-13-4-3-10(17)7-14(13)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyJXAUKTNCOUNKIV-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.21
Rot. Bonds5

About N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide

N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide (PubChem CID 7105629) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
PubChem CID7105629
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C16H14FN3O3S/c1-22-11-5-9(6-12(8-11)23-2)15(21)19-20-16-18-13-4-3-10(17)7-14(13)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyJXAUKTNCOUNKIV-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'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600544
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953148
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600474
4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7105614
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536

Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide (CID 7105629) is N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNc2nc3ccc(F)cc3s2)c1.
What is the InChIKey of N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide?
The InChIKey is JXAUKTNCOUNKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-22-11-5-9(6-12(8-11)23-2)15(21)19-20-16-18-13-4-3-10(17)7-14(13)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide?
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-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'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 7105629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).