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

C15H12FN3OS2 — CID 7600544

IUPACN'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C15H12FN3OS2/c1-21-11-4-2-3-9(7-11)14(20)18-19-15-17-12-6-5-10(16)8-13(12)22-15/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyFOBBYWYZMFHXOJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.91
Rot. Bonds4

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

N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide (PubChem CID 7600544) has the molecular formula C15H12FN3OS2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
PubChem CID7600544
Molecular FormulaC15H12FN3OS2
Molecular Weight333.41 g/mol
Exact Mass333.04
IUPAC NameN'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C15H12FN3OS2/c1-21-11-4-2-3-9(7-11)14(20)18-19-15-17-12-6-5-10(16)8-13(12)22-15/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyFOBBYWYZMFHXOJ-UHFFFAOYSA-N
XLogP3.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.91
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-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
CID 7105629
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599930
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide
CID 167897163
3-methylsulfanyl-N'-phenylbenzohydrazide
CID 54107491
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623

Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The IUPAC name of N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide (CID 7600544) is N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide is CSc1cccc(C(=O)NNc2nc3ccc(F)cc3s2)c1.
What is the InChIKey of N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The InChIKey is FOBBYWYZMFHXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS2/c1-21-11-4-2-3-9(7-11)14(20)18-19-15-17-12-6-5-10(16)8-13(12)22-15/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide has a molecular weight of 333.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide is sourced from PubChem (CID 7600544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).