N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide

C17H23N3O2S — CID 43027638

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
SMILESCCCCCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C17H23N3O2S/c1-2-3-4-5-16(21)18-13-6-7-14-15(12-13)23-17(19-14)20-8-10-22-11-9-20/h6-7,12H,2-5,8-11H2,1H3,(H,18,21)
InChIKeyPXKQNMCHBGVBIR-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.65
Rot. Bonds6

About N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide (PubChem CID 43027638) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
PubChem CID43027638
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
SMILESCCCCCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C17H23N3O2S/c1-2-3-4-5-16(21)18-13-6-7-14-15(12-13)23-17(19-14)20-8-10-22-11-9-20/h6-7,12H,2-5,8-11H2,1H3,(H,18,21)
InChIKeyPXKQNMCHBGVBIR-UHFFFAOYSA-N
XLogP3.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 55939739
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexa-2,4-dienamide
CID 74551313
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55596101
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 46674654
N-[3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589452
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 24637733
methyl 6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamothioylamino]hexanoate
CID 9216814
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide (CID 43027638) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide is CCCCCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide?
The InChIKey is PXKQNMCHBGVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-3-4-5-16(21)18-13-6-7-14-15(12-13)23-17(19-14)20-8-10-22-11-9-20/h6-7,12H,2-5,8-11H2,1H3,(H,18,21).
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide has a molecular weight of 333.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide is sourced from PubChem (CID 43027638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).