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

C17H17N3OS2 — CID 7599930

IUPACN'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
SMILESCCc1cccc2sc(NNC(=O)c3cccc(SC)c3)nc12
InChIInChI=1S/C17H17N3OS2/c1-3-11-6-5-9-14-15(11)18-17(23-14)20-19-16(21)12-7-4-8-13(10-12)22-2/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXVJYONQDGWZLTF-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.34
Rot. Bonds5

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

N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide (PubChem CID 7599930) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
PubChem CID7599930
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
SMILESCCc1cccc2sc(NNC(=O)c3cccc(SC)c3)nc12
InChIInChI=1S/C17H17N3OS2/c1-3-11-6-5-9-14-15(11)18-17(23-14)20-19-16(21)12-7-4-8-13(10-12)22-2/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXVJYONQDGWZLTF-UHFFFAOYSA-N
XLogP4.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.34
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'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599932
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600544
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 41147133
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The IUPAC name of N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide (CID 7599930) is N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide is CCc1cccc2sc(NNC(=O)c3cccc(SC)c3)nc12.
What is the InChIKey of N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The InChIKey is XVJYONQDGWZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-3-11-6-5-9-14-15(11)18-17(23-14)20-19-16(21)12-7-4-8-13(10-12)22-2/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide has a molecular weight of 343.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide is sourced from PubChem (CID 7599930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).