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

C21H22FN3O3S — CID 55939739

IUPAC4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
SMILESO=C(CCCOc1ccccc1F)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C21H22FN3O3S/c22-16-4-1-2-5-18(16)28-11-3-6-20(26)23-15-7-8-17-19(14-15)29-21(24-17)25-9-12-27-13-10-25/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,26)
InChIKeyYXXLKWJLUOHGQU-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.07
Rot. Bonds7

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

4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide (PubChem CID 55939739) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
PubChem CID55939739
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
SMILESO=C(CCCOc1ccccc1F)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C21H22FN3O3S/c22-16-4-1-2-5-18(16)28-11-3-6-20(26)23-15-7-8-17-19(14-15)29-21(24-17)25-9-12-27-13-10-25/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,26)
InChIKeyYXXLKWJLUOHGQU-UHFFFAOYSA-N
XLogP4.07
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55596101
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 17470104
N-[3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589452
3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 24637733
4-pyridin-3-yloxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)butanamide
CID 167862235
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24576130
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(2-nitroanilino)propanamide
CID 16622823
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-(2-nitrophenyl)acetamide
CID 39761652
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide (CID 55939739) is 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide is O=C(CCCOc1ccccc1F)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The InChIKey is YXXLKWJLUOHGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c22-16-4-1-2-5-18(16)28-11-3-6-20(26)23-15-7-8-17-19(14-15)29-21(24-17)25-9-12-27-13-10-25/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,26).
What are the key properties of 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide has a molecular weight of 415.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide is sourced from PubChem (CID 55939739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).