N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide

C16H13Cl2N3OS — CID 7600050

IUPACN'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
SMILESCc1ccc(C)c(C(=O)NNc2nc3c(Cl)ccc(Cl)c3s2)c1
InChIInChI=1S/C16H13Cl2N3OS/c1-8-3-4-9(2)10(7-8)15(22)20-21-16-19-13-11(17)5-6-12(18)14(13)23-16/h3-7H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZKWFJKXRJSIZQO-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.98
Rot. Bonds3

About N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide

N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide (PubChem CID 7600050) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
PubChem CID7600050
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC NameN'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
SMILESCc1ccc(C)c(C(=O)NNc2nc3c(Cl)ccc(Cl)c3s2)c1
InChIInChI=1S/C16H13Cl2N3OS/c1-8-3-4-9(2)10(7-8)15(22)20-21-16-19-13-11(17)5-6-12(18)14(13)23-16/h3-7H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZKWFJKXRJSIZQO-UHFFFAOYSA-N
XLogP4.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
CID 7600199
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 7193169
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3575126
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 43953395
N',2,5-trimethylbenzohydrazide
CID 116846828
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 7540355
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
CID 7590156
5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7192936
N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 2150740
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43988847
2-bromo-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081444

Frequently Asked Questions

What is the IUPAC name of N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide?
The IUPAC name of N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide (CID 7600050) is N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide.
What is the SMILES notation for N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide?
The canonical SMILES for N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide is Cc1ccc(C)c(C(=O)NNc2nc3c(Cl)ccc(Cl)c3s2)c1.
What is the InChIKey of N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide?
The InChIKey is ZKWFJKXRJSIZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c1-8-3-4-9(2)10(7-8)15(22)20-21-16-19-13-11(17)5-6-12(18)14(13)23-16/h3-7H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide?
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide has a molecular weight of 366.27 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide is sourced from PubChem (CID 7600050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).