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

C17H17N3O3S2 — CID 7599932

IUPACN'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
SMILESCCc1cccc2sc(NNC(=O)c3cccc(S(C)(=O)=O)c3)nc12
InChIInChI=1S/C17H17N3O3S2/c1-3-11-6-5-9-14-15(11)18-17(24-14)20-19-16(21)12-7-4-8-13(10-12)25(2,22)23/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFMSYHHURRABDTA-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.02
Rot. Bonds5

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

N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide (PubChem CID 7599932) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
PubChem CID7599932
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
SMILESCCc1cccc2sc(NNC(=O)c3cccc(S(C)(=O)=O)c3)nc12
InChIInChI=1S/C17H17N3O3S2/c1-3-11-6-5-9-14-15(11)18-17(24-14)20-19-16(21)12-7-4-8-13(10-12)25(2,22)23/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFMSYHHURRABDTA-UHFFFAOYSA-N
XLogP3.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.02
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'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897
N'-(4-bromo-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 43953368
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599930
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7599822
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 7267144
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 41147133
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzohydrazide
CID 41074302
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide (CID 7599932) is N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide is CCc1cccc2sc(NNC(=O)c3cccc(S(C)(=O)=O)c3)nc12.
What is the InChIKey of N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide?
The InChIKey is FMSYHHURRABDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-3-11-6-5-9-14-15(11)18-17(24-14)20-19-16(21)12-7-4-8-13(10-12)25(2,22)23/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-methylsulfonylbenzohydrazide?
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide has a molecular weight of 375.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide is sourced from PubChem (CID 7599932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).