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

C14H9F2N3OS — CID 167897163

IUPACN'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide
SMILESO=C(NNc1nc2ccccc2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2N3OS/c15-9-6-5-8(7-10(9)16)13(20)18-19-14-17-11-3-1-2-4-12(11)21-14/h1-7H,(H,17,19)(H,18,20)
InChIKeyFBZNVEIPXHMYFC-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.33
Rot. Bonds3

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

N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide (PubChem CID 167897163) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide
PubChem CID167897163
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC NameN'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide
SMILESO=C(NNc1nc2ccccc2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2N3OS/c15-9-6-5-8(7-10(9)16)13(20)18-19-14-17-11-3-1-2-4-12(11)21-14/h1-7H,(H,17,19)(H,18,20)
InChIKeyFBZNVEIPXHMYFC-UHFFFAOYSA-N
XLogP3.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259
(1,3-benzothiazol-2-ylamino)carbamodithioic acid
CID 134108840
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
N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
CID 107021686
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
(1,3-benzothiazol-2-ylamino)thiourea
CID 14712207
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
CID 7105678
1-[(3-aminobenzoyl)amino]-3-(1,3-benzothiazol-2-yl)urea
CID 155671124
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
CID 7105629
4-(1,3-benzothiazol-2-ylamino)-3-fluorobenzenecarbothioamide
CID 43657843

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide (CID 167897163) is N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide is O=C(NNc1nc2ccccc2s1)c1ccc(F)c(F)c1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide?
The InChIKey is FBZNVEIPXHMYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-9-6-5-8(7-10(9)16)13(20)18-19-14-17-11-3-1-2-4-12(11)21-14/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide?
N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide has a molecular weight of 305.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide is sourced from PubChem (CID 167897163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).