N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

C22H27F3N4O2S2 — CID 90381280

IUPACN-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CSC(C(F)(F)F)N2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C22H27F3N4O2S2/c23-22(24,25)21-28-16(13-32-21)20(31)29-9-5-14(6-10-29)3-1-2-7-27-19(30)17-11-15-4-8-26-12-18(15)33-17/h4,8,11-12,14,16,21,28H,1-3,5-7,9-10,13H2,(H,27,30)
InChIKeyYUFWDJLHQIUDLN-UHFFFAOYSA-N
MW500.61 g/mol
LogP4.03
Rot. Bonds7

About N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90381280) has the molecular formula C22H27F3N4O2S2 and a molecular weight of 500.61 g/mol. Its IUPAC name is N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90381280
Molecular FormulaC22H27F3N4O2S2
Molecular Weight500.61 g/mol
Exact Mass500.15
IUPAC NameN-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CSC(C(F)(F)F)N2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C22H27F3N4O2S2/c23-22(24,25)21-28-16(13-32-21)20(31)29-9-5-14(6-10-29)3-1-2-7-27-19(30)17-11-15-4-8-26-12-18(15)33-17/h4,8,11-12,14,16,21,28H,1-3,5-7,9-10,13H2,(H,27,30)
InChIKeyYUFWDJLHQIUDLN-UHFFFAOYSA-N
XLogP4.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 90381280) is N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)C2CSC(C(F)(F)F)N2)CC1)c1cc2ccncc2s1.
What is the InChIKey of N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is YUFWDJLHQIUDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2S2/c23-22(24,25)21-28-16(13-32-21)20(31)29-9-5-14(6-10-29)3-1-2-7-27-19(30)17-11-15-4-8-26-12-18(15)33-17/h4,8,11-12,14,16,21,28H,1-3,5-7,9-10,13H2,(H,27,30).
What are the key properties of N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 500.61 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(trifluoromethyl)-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90381280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).