1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide

C23H24FN3O2S — CID 55369497

IUPAC1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C23H24FN3O2S/c24-17-5-3-4-16(14-17)23(8-1-2-9-23)21(28)25-18-6-7-19-20(15-18)30-22(26-19)27-10-12-29-13-11-27/h3-7,14-15H,1-2,8-13H2,(H,25,28)
InChIKeyGQANDGSLIFSPCU-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.72
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide

1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide (PubChem CID 55369497) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
PubChem CID55369497
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C23H24FN3O2S/c24-17-5-3-4-16(14-17)23(8-1-2-9-23)21(28)25-18-6-7-19-20(15-18)30-22(26-19)27-10-12-29-13-11-27/h3-7,14-15H,1-2,8-13H2,(H,25,28)
InChIKeyGQANDGSLIFSPCU-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 120640187
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538097
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide
CID 39624353
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 55756487
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 119839211
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide (CID 55369497) is 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The InChIKey is GQANDGSLIFSPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-17-5-3-4-16(14-17)23(8-1-2-9-23)21(28)25-18-6-7-19-20(15-18)30-22(26-19)27-10-12-29-13-11-27/h3-7,14-15H,1-2,8-13H2,(H,25,28).
What are the key properties of 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55369497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).