N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide

C20H24F3N3O3S — CID 90602587

IUPACN-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C20H24F3N3O3S/c21-20(22,23)29-15-5-6-16-17(13-15)30-19(24-16)26(18(27)14-3-1-2-4-14)8-7-25-9-11-28-12-10-25/h5-6,13-14H,1-4,7-12H2
InChIKeyUQDZVPUDEOEQLB-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.05
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide

N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide (PubChem CID 90602587) has the molecular formula C20H24F3N3O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
PubChem CID90602587
Molecular FormulaC20H24F3N3O3S
Molecular Weight443.49 g/mol
Exact Mass443.15
IUPAC NameN-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C20H24F3N3O3S/c21-20(22,23)29-15-5-6-16-17(13-15)30-19(24-16)26(18(27)14-3-1-2-4-14)8-7-25-9-11-28-12-10-25/h5-6,13-14H,1-4,7-12H2
InChIKeyUQDZVPUDEOEQLB-UHFFFAOYSA-N
XLogP4.05
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 18583240
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 43997021
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602556
2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 90602564
N-(2-morpholin-4-ylethyl)-2-pyridin-4-ylsulfanyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602586
2-methylsulfanyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 90602545
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 43997556
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622625
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 43963226
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997307
2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
CID 29137942
3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622633

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide (CID 90602587) is N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide is O=C(C1CCCC1)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is UQDZVPUDEOEQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3S/c21-20(22,23)29-15-5-6-16-17(13-15)30-19(24-16)26(18(27)14-3-1-2-4-14)8-7-25-9-11-28-12-10-25/h5-6,13-14H,1-4,7-12H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide?
N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 443.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 90602587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).