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

C17H17N3OS2 — CID 7600332

IUPACN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)c1
InChIInChI=1S/C17H17N3OS2/c1-10-7-11(2)15-14(8-10)23-17(18-15)20-19-16(21)12-5-4-6-13(9-12)22-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyZAYATAQKKSNNQP-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.39
Rot. Bonds4

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

N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide (PubChem CID 7600332) 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)-3-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
PubChem CID7600332
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)c1
InChIInChI=1S/C17H17N3OS2/c1-10-7-11(2)15-14(8-10)23-17(18-15)20-19-16(21)12-5-4-6-13(9-12)22-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyZAYATAQKKSNNQP-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-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599930
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide
CID 7600331
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600544
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
CID 4617775
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897
2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium
CID 7580358

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The IUPAC name of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide (CID 7600332) is N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide is CSc1cccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)c1.
What is the InChIKey of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The InChIKey is ZAYATAQKKSNNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-10-7-11(2)15-14(8-10)23-17(18-15)20-19-16(21)12-5-4-6-13(9-12)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)-3-methylsulfanylbenzohydrazide?
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-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)-3-methylsulfanylbenzohydrazide is sourced from PubChem (CID 7600332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).