3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide

C18H23F3N6O3S — CID 55911771

IUPAC3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)N1CCCC(C(=O)Nc2nccs2)C1)C(F)(F)F
InChIInChI=1S/C18H23F3N6O3S/c1-26-9-6-22-14(26)17(30,18(19,20)21)4-5-24-16(29)27-8-2-3-12(11-27)13(28)25-15-23-7-10-31-15/h6-7,9-10,12,30H,2-5,8,11H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyUSCQLBDPVNVBKI-UHFFFAOYSA-N
MW460.48 g/mol
LogP2.08
Rot. Bonds6

About 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide

3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide (PubChem CID 55911771) has the molecular formula C18H23F3N6O3S and a molecular weight of 460.48 g/mol. Its IUPAC name is 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide
PubChem CID55911771
Molecular FormulaC18H23F3N6O3S
Molecular Weight460.48 g/mol
Exact Mass460.15
IUPAC Name3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)N1CCCC(C(=O)Nc2nccs2)C1)C(F)(F)F
InChIInChI=1S/C18H23F3N6O3S/c1-26-9-6-22-14(26)17(30,18(19,20)21)4-5-24-16(29)27-8-2-3-12(11-27)13(28)25-15-23-7-10-31-15/h6-7,9-10,12,30H,2-5,8,11H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyUSCQLBDPVNVBKI-UHFFFAOYSA-N
XLogP2.08
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide (CID 55911771) is 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide is Cn1ccnc1C(O)(CCNC(=O)N1CCCC(C(=O)Nc2nccs2)C1)C(F)(F)F.
What is the InChIKey of 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide?
The InChIKey is USCQLBDPVNVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O3S/c1-26-9-6-22-14(26)17(30,18(19,20)21)4-5-24-16(29)27-8-2-3-12(11-27)13(28)25-15-23-7-10-31-15/h6-7,9-10,12,30H,2-5,8,11H2,1H3,(H,24,29)(H,23,25,28).
What are the key properties of 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide?
3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide has a molecular weight of 460.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-thiazol-2-yl)-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55911771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).