N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide

C20H22N4O3S — CID 9273392

IUPACN'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)COCc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C20H22N4O3S/c1-13-7-8-15(14(2)9-13)21-10-18(25)23-24-19(26)11-27-12-20-22-16-5-3-4-6-17(16)28-20/h3-9,21H,10-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIRJDBWMELCYPHF-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.69
Rot. Bonds7

About N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide

N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide (PubChem CID 9273392) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
PubChem CID9273392
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)COCc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C20H22N4O3S/c1-13-7-8-15(14(2)9-13)21-10-18(25)23-24-19(26)11-27-12-20-22-16-5-3-4-6-17(16)28-20/h3-9,21H,10-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIRJDBWMELCYPHF-UHFFFAOYSA-N
XLogP2.69
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-benzothiazol-2-yl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
CID 7923213
N-[2-(1,3-benzothiazol-2-ylmethoxymethyl)-5-methylphenyl]-2-chloroacetamide
CID 155581512
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 9425052
N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46467466
N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
CID 102603450
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide
CID 9278562
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324359
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 24673136
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
CID 39966204
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
CID 9432141
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide?
The IUPAC name of N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide (CID 9273392) is N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide?
The canonical SMILES for N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)COCc2nc3ccccc3s2)c(C)c1.
What is the InChIKey of N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide?
The InChIKey is IRJDBWMELCYPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13-7-8-15(14(2)9-13)21-10-18(25)23-24-19(26)11-27-12-20-22-16-5-3-4-6-17(16)28-20/h3-9,21H,10-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide?
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide has a molecular weight of 398.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide is sourced from PubChem (CID 9273392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).