N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide

C18H19N3O3S — CID 7105680

IUPACN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NNc1nc2cc(C)cc(C)c2s1
InChIInChI=1S/C18H19N3O3S/c1-10-8-11(2)16-12(9-10)19-18(25-16)21-20-17(22)15-13(23-3)6-5-7-14(15)24-4/h5-9H,1-4H3,(H,19,21)(H,20,22)
InChIKeyYJNZRFHFMBWSAG-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.69
Rot. Bonds5

About N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide

N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide (PubChem CID 7105680) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
PubChem CID7105680
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NNc1nc2cc(C)cc(C)c2s1
InChIInChI=1S/C18H19N3O3S/c1-10-8-11(2)16-12(9-10)19-18(25-16)21-20-17(22)15-13(23-3)6-5-7-14(15)24-4/h5-9H,1-4H3,(H,19,21)(H,20,22)
InChIKeyYJNZRFHFMBWSAG-UHFFFAOYSA-N
XLogP3.69
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953231
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
CID 7105678
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 7192786
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide
CID 43953324
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7600129
2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953256
methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
(3S)-N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7105681
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 18553500

Frequently Asked Questions

What is the IUPAC name of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide?
The IUPAC name of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide (CID 7105680) is N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide?
The canonical SMILES for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide is COc1cccc(OC)c1C(=O)NNc1nc2cc(C)cc(C)c2s1.
What is the InChIKey of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide?
The InChIKey is YJNZRFHFMBWSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-10-8-11(2)16-12(9-10)19-18(25-16)21-20-17(22)15-13(23-3)6-5-7-14(15)24-4/h5-9H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide?
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide has a molecular weight of 357.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide is sourced from PubChem (CID 7105680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).