4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide

C17H18N4O2S — CID 43953148

IUPAC4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1ccc2nc(NNC(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C17H18N4O2S/c1-21(2)12-6-4-11(5-7-12)16(22)19-20-17-18-14-9-8-13(23-3)10-15(14)24-17/h4-10H,1-3H3,(H,18,20)(H,19,22)
InChIKeyCRLBTHOINOOVTR-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.13
Rot. Bonds5

About 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide

4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 43953148) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID43953148
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1ccc2nc(NNC(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C17H18N4O2S/c1-21(2)12-6-4-11(5-7-12)16(22)19-20-17-18-14-9-8-13(23-3)10-15(14)24-17/h4-10H,1-3H3,(H,18,20)(H,19,22)
InChIKeyCRLBTHOINOOVTR-UHFFFAOYSA-N
XLogP3.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.13
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

4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7105614
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide
CID 43953308
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxy-N-methylanilino)sulfanylbenzamide
CID 139506275
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
CID 7105629
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 27378409
N'-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043740

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (CID 43953148) is 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is COc1ccc2nc(NNC(=O)c3ccc(N(C)C)cc3)sc2c1.
What is the InChIKey of 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is CRLBTHOINOOVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-21(2)12-6-4-11(5-7-12)16(22)19-20-17-18-14-9-8-13(23-3)10-15(14)24-17/h4-10H,1-3H3,(H,18,20)(H,19,22).
What are the key properties of 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 342.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 43953148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).