1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide

C18H18F3N3O3S — CID 167895842

IUPAC1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)27-12-5-6-13-14(8-12)28-17(22-13)23-16(26)10-7-15(25)24(9-10)11-3-1-2-4-11/h5-6,8,10-11H,1-4,7,9H2,(H,22,23,26)
InChIKeyGWUZRWPEIUVKQT-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.92
Rot. Bonds4

About 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 167895842) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID167895842
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC Name1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)27-12-5-6-13-14(8-12)28-17(22-13)23-16(26)10-7-15(25)24(9-10)11-3-1-2-4-11/h5-6,8,10-11H,1-4,7,9H2,(H,22,23,26)
InChIKeyGWUZRWPEIUVKQT-UHFFFAOYSA-N
XLogP3.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17081409
1-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 55374561
(3S)-1-cyclopentyl-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8569707
1-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17310626
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578340
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
(3R)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7336940
1-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6494505
N-(aminomethyl)-N-[1-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]cyclobutyl]cyclopentanecarboxamide
CID 122625097
4-pyrrolidin-1-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 122656794
1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 71884515

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide (CID 167895842) is 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide is O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is GWUZRWPEIUVKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3S/c19-18(20,21)27-12-5-6-13-14(8-12)28-17(22-13)23-16(26)10-7-15(25)24(9-10)11-3-1-2-4-11/h5-6,8,10-11H,1-4,7,9H2,(H,22,23,26).
What are the key properties of 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 167895842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).