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

C17H16ClN3OS — CID 7600199

IUPACN'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
SMILESCc1ccc(C)c(C(=O)NNc2nc3c(C)ccc(Cl)c3s2)c1
InChIInChI=1S/C17H16ClN3OS/c1-9-4-5-10(2)12(8-9)16(22)20-21-17-19-14-11(3)6-7-13(18)15(14)23-17/h4-8H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGKRZRJAROFBVQC-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.63
Rot. Bonds3

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

N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide (PubChem CID 7600199) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
PubChem CID7600199
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC NameN'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
SMILESCc1ccc(C)c(C(=O)NNc2nc3c(C)ccc(Cl)c3s2)c1
InChIInChI=1S/C17H16ClN3OS/c1-9-4-5-10(2)12(8-9)16(22)20-21-17-19-14-11(3)6-7-13(18)15(14)23-17/h4-8H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGKRZRJAROFBVQC-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.63
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'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
CID 7600050
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
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 7540355
5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7192936
2-bromo-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081444
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 43953395
N',2,5-trimethylbenzohydrazide
CID 116846828
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
CID 7590156
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 41148747

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide?
The IUPAC name of N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide (CID 7600199) is N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide.
What is the SMILES notation for N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide?
The canonical SMILES for N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide is Cc1ccc(C)c(C(=O)NNc2nc3c(C)ccc(Cl)c3s2)c1.
What is the InChIKey of N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide?
The InChIKey is GKRZRJAROFBVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-9-4-5-10(2)12(8-9)16(22)20-21-17-19-14-11(3)6-7-13(18)15(14)23-17/h4-8H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide?
N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide has a molecular weight of 345.86 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide is sourced from PubChem (CID 7600199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).