7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide

C18H24FN3O3S — CID 170265301

IUPAC7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide
SMILESNC(=O)CCCCCCOc1c(F)ccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C18H24FN3O3S/c19-13-6-7-14-16(21-18(26-14)22-8-11-24-12-9-22)17(13)25-10-4-2-1-3-5-15(20)23/h6-7H,1-5,8-12H2,(H2,20,23)
InChIKeySQSWLHBYJZDOEG-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.09
Rot. Bonds9

About 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide

7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide (PubChem CID 170265301) has the molecular formula C18H24FN3O3S and a molecular weight of 381.47 g/mol. Its IUPAC name is 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide.

Molecular Properties

Compound Name7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide
PubChem CID170265301
Molecular FormulaC18H24FN3O3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC Name7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide
SMILESNC(=O)CCCCCCOc1c(F)ccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C18H24FN3O3S/c19-13-6-7-14-16(21-18(26-14)22-8-11-24-12-9-22)17(13)25-10-4-2-1-3-5-15(20)23/h6-7H,1-5,8-12H2,(H2,20,23)
InChIKeySQSWLHBYJZDOEG-UHFFFAOYSA-N
XLogP3.09
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.09
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

ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167512915
4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 55939739
2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate
CID 155011874
9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid
CID 171565171
5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate
CID 167862109
4-[4-tert-butyl-7-[2-(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)-2-methylpropyl]-1,3-benzothiazol-2-yl]morpholine
CID 170275973
4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 16849825
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate
CID 144559713
2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 166755042
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068

Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide?
The IUPAC name of 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide (CID 170265301) is 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide.
What is the SMILES notation for 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide?
The canonical SMILES for 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide is NC(=O)CCCCCCOc1c(F)ccc2sc(N3CCOCC3)nc12.
What is the InChIKey of 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide?
The InChIKey is SQSWLHBYJZDOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3S/c19-13-6-7-14-16(21-18(26-14)22-8-11-24-12-9-22)17(13)25-10-4-2-1-3-5-15(20)23/h6-7H,1-5,8-12H2,(H2,20,23).
What are the key properties of 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide?
7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide has a molecular weight of 381.47 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide is sourced from PubChem (CID 170265301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).