N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide

C16H22F3N3O2S — CID 138670503

IUPACN-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(CCN2CCc3sc(OCC(F)(F)F)nc3C2)C1
InChIInChI=1S/C16H22F3N3O2S/c1-10(23)20-12-6-11(7-12)2-4-22-5-3-14-13(8-22)21-15(25-14)24-9-16(17,18)19/h11-12H,2-9H2,1H3,(H,20,23)
InChIKeyVBKMWSROUPDQBN-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.75
Rot. Bonds6

About N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide

N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide (PubChem CID 138670503) has the molecular formula C16H22F3N3O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide
PubChem CID138670503
Molecular FormulaC16H22F3N3O2S
Molecular Weight377.43 g/mol
Exact Mass377.14
IUPAC NameN-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(CCN2CCc3sc(OCC(F)(F)F)nc3C2)C1
InChIInChI=1S/C16H22F3N3O2S/c1-10(23)20-12-6-11(7-12)2-4-22-5-3-14-13(8-22)21-15(25-14)24-9-16(17,18)19/h11-12H,2-9H2,1H3,(H,20,23)
InChIKeyVBKMWSROUPDQBN-UHFFFAOYSA-N
XLogP2.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide (CID 138670503) is N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide is CC(=O)NC1CC(CCN2CCc3sc(OCC(F)(F)F)nc3C2)C1.
What is the InChIKey of N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide?
The InChIKey is VBKMWSROUPDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2S/c1-10(23)20-12-6-11(7-12)2-4-22-5-3-14-13(8-22)21-15(25-14)24-9-16(17,18)19/h11-12H,2-9H2,1H3,(H,20,23).
What are the key properties of N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide?
N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide has a molecular weight of 377.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide is sourced from PubChem (CID 138670503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).