N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide

C17H17N3OS2 — CID 7600331

IUPACN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide
SMILESCSc1ccccc1C(=O)NNc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C17H17N3OS2/c1-10-8-11(2)15-14(9-10)23-17(18-15)20-19-16(21)12-6-4-5-7-13(12)22-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyGZYVXJRKSWPKAO-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.39
Rot. Bonds4

About N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide

N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide (PubChem CID 7600331) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide
PubChem CID7600331
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide
SMILESCSc1ccccc1C(=O)NNc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C17H17N3OS2/c1-10-8-11(2)15-14(9-10)23-17(18-15)20-19-16(21)12-6-4-5-7-13(12)22-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyGZYVXJRKSWPKAO-UHFFFAOYSA-N
XLogP4.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.39
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'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
CID 4617775
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-[2-(diethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzamide
CID 41046430
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828220
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
CID 19226196
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
CID 7105678
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide
CID 7600080

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide?
The IUPAC name of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide (CID 7600331) is N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide is CSc1ccccc1C(=O)NNc1nc2c(C)cc(C)cc2s1.
What is the InChIKey of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide?
The InChIKey is GZYVXJRKSWPKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-10-8-11(2)15-14(9-10)23-17(18-15)20-19-16(21)12-6-4-5-7-13(12)22-3/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide?
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide has a molecular weight of 343.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide is sourced from PubChem (CID 7600331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).