N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide

C19H16N4O2S — CID 43953096

IUPACN'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide
SMILESCOc1cccc2sc(NNC(=O)c3ccc4nc(C)ccc4c3)nc12
InChIInChI=1S/C19H16N4O2S/c1-11-6-7-12-10-13(8-9-14(12)20-11)18(24)22-23-19-21-17-15(25-2)4-3-5-16(17)26-19/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyWUUJFBGLDDIKRK-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.92
Rot. Bonds4

About N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide

N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide (PubChem CID 43953096) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide
PubChem CID43953096
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide
SMILESCOc1cccc2sc(NNC(=O)c3ccc4nc(C)ccc4c3)nc12
InChIInChI=1S/C19H16N4O2S/c1-11-6-7-12-10-13(8-9-14(12)20-11)18(24)22-23-19-21-17-15(25-2)4-3-5-16(17)26-19/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyWUUJFBGLDDIKRK-UHFFFAOYSA-N
XLogP3.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.92
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

3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953094
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 5205718
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 16825074
N'-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043711

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide?
The IUPAC name of N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide (CID 43953096) is N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide.
What is the SMILES notation for N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide?
The canonical SMILES for N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide is COc1cccc2sc(NNC(=O)c3ccc4nc(C)ccc4c3)nc12.
What is the InChIKey of N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide?
The InChIKey is WUUJFBGLDDIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11-6-7-12-10-13(8-9-14(12)20-11)18(24)22-23-19-21-17-15(25-2)4-3-5-16(17)26-19/h3-10H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide?
N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide has a molecular weight of 364.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide is sourced from PubChem (CID 43953096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).