N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide

C17H18N4O2S — CID 50880720

IUPACN-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1
InChIInChI=1S/C17H18N4O2S/c1-9-8-13-15(24-17(19-13)21-18)10(2)14(9)20-16(22)11-4-6-12(23-3)7-5-11/h4-8H,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeySLKQEIANPJBEDG-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.46
Rot. Bonds4

About N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide

N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide (PubChem CID 50880720) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
PubChem CID50880720
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1
InChIInChI=1S/C17H18N4O2S/c1-9-8-13-15(24-17(19-13)21-18)10(2)14(9)20-16(22)11-4-6-12(23-3)7-5-11/h4-8H,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeySLKQEIANPJBEDG-UHFFFAOYSA-N
XLogP3.46
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide
CID 50880365
N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]-4-propan-2-yloxybenzamide
CID 50880662
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide
CID 50880143
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethoxybenzamide
CID 50880683
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethylbenzamide
CID 50880234
N-(4,5-dimethylthiophen-2-yl)-4-methoxybenzamide
CID 1382571
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]-3-propoxybenzamide
CID 50880579
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 91680598
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]-3-propoxybenzamide
CID 50880609

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide?
The IUPAC name of N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide (CID 50880720) is N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1.
What is the InChIKey of N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide?
The InChIKey is SLKQEIANPJBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-9-8-13-15(24-17(19-13)21-18)10(2)14(9)20-16(22)11-4-6-12(23-3)7-5-11/h4-8H,18H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide?
N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide has a molecular weight of 342.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide is sourced from PubChem (CID 50880720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).