2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide

C15H16F3N3O2S — CID 119719224

IUPAC2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(CC1CCCN1)Nc1nc2ccc(OCC(F)(F)F)cc2s1
InChIInChI=1S/C15H16F3N3O2S/c16-15(17,18)8-23-10-3-4-11-12(7-10)24-14(20-11)21-13(22)6-9-2-1-5-19-9/h3-4,7,9,19H,1-2,5-6,8H2,(H,20,21,22)
InChIKeyDLSDCRAVGQLJKK-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.32
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide

2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 119719224) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
PubChem CID119719224
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(CC1CCCN1)Nc1nc2ccc(OCC(F)(F)F)cc2s1
InChIInChI=1S/C15H16F3N3O2S/c16-15(17,18)8-23-10-3-4-11-12(7-10)24-14(20-11)21-13(22)6-9-2-1-5-19-9/h3-4,7,9,19H,1-2,5-6,8H2,(H,20,21,22)
InChIKeyDLSDCRAVGQLJKK-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119696765
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119719212
1-amino-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 119719194
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934878
2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride
CID 119719229
2-(2-nitrophenyl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 39055134
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 39055041
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119702559
5,6-dichloro-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 55675885
N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 52583702
3-(2,4-dioxoquinazolin-1-yl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 39054988

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide (CID 119719224) is 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide is O=C(CC1CCCN1)Nc1nc2ccc(OCC(F)(F)F)cc2s1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is DLSDCRAVGQLJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c16-15(17,18)8-23-10-3-4-11-12(7-10)24-14(20-11)21-13(22)6-9-2-1-5-19-9/h3-4,7,9,19H,1-2,5-6,8H2,(H,20,21,22).
What are the key properties of 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide?
2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 359.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 119719224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).