2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide

C16H13F2N3O2S — CID 43953256

IUPAC2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1ccc(C)c2sc(NNC(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C16H13F2N3O2S/c1-8-6-7-11(23-2)13-14(8)24-16(19-13)21-20-15(22)12-9(17)4-3-5-10(12)18/h3-7H,1-2H3,(H,19,21)(H,20,22)
InChIKeyXJNNVMOYXLZMQJ-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.65
Rot. Bonds4

About 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide

2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 43953256) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID43953256
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1ccc(C)c2sc(NNC(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C16H13F2N3O2S/c1-8-6-7-11(23-2)13-14(8)24-16(19-13)21-20-15(22)12-9(17)4-3-5-10(12)18/h3-7H,1-2H3,(H,19,21)(H,20,22)
InChIKeyXJNNVMOYXLZMQJ-UHFFFAOYSA-N
XLogP3.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.65
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

2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 5205718
4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953257
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
CID 7105680
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
CID 7105594
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide (CID 43953256) is 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide is COc1ccc(C)c2sc(NNC(=O)c3c(F)cccc3F)nc12.
What is the InChIKey of 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is XJNNVMOYXLZMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c1-8-6-7-11(23-2)13-14(8)24-16(19-13)21-20-15(22)12-9(17)4-3-5-10(12)18/h3-7H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide?
2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 349.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 43953256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).