N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide

C23H24F3N3O2S — CID 138671141

IUPACN-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCc2sc(OCC(F)(F)F)nc2C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24F3N3O2S/c24-23(25,26)15-31-22-28-19-14-29(12-9-20(19)32-22)11-4-3-10-27-21(30)18-8-7-16-5-1-2-6-17(16)13-18/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,27,30)
InChIKeyDQWJULNHVFIKBD-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.81
Rot. Bonds8

About N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide

N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide (PubChem CID 138671141) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide
PubChem CID138671141
Molecular FormulaC23H24F3N3O2S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC NameN-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCc2sc(OCC(F)(F)F)nc2C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24F3N3O2S/c24-23(25,26)15-31-22-28-19-14-29(12-9-20(19)32-22)11-4-3-10-27-21(30)18-8-7-16-5-1-2-6-17(16)13-18/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,27,30)
InChIKeyDQWJULNHVFIKBD-UHFFFAOYSA-N
XLogP4.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide (CID 138671141) is N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide is O=C(NCCCCN1CCc2sc(OCC(F)(F)F)nc2C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide?
The InChIKey is DQWJULNHVFIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/c24-23(25,26)15-31-22-28-19-14-29(12-9-20(19)32-22)11-4-3-10-27-21(30)18-8-7-16-5-1-2-6-17(16)13-18/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,27,30).
What are the key properties of N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide?
N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 138671141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).