1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide

C21H23FN4OS — CID 53187209

IUPAC1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1
InChIInChI=1S/C21H23FN4OS/c1-13(2)23-19(27)14-8-10-26(11-9-14)21-25-18-7-6-17(24-20(18)28-21)15-4-3-5-16(22)12-15/h3-7,12-14H,8-11H2,1-2H3,(H,23,27)
InChIKeyCOFBGDGISBFUNN-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.24
Rot. Bonds4

About 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 53187209) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID53187209
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Name1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1
InChIInChI=1S/C21H23FN4OS/c1-13(2)23-19(27)14-8-10-26(11-9-14)21-25-18-7-6-17(24-20(18)28-21)15-4-3-5-16(22)12-15/h3-7,12-14H,8-11H2,1-2H3,(H,23,27)
InChIKeyCOFBGDGISBFUNN-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 53187209) is 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is COFBGDGISBFUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-13(2)23-19(27)14-8-10-26(11-9-14)21-25-18-7-6-17(24-20(18)28-21)15-4-3-5-16(22)12-15/h3-7,12-14H,8-11H2,1-2H3,(H,23,27).
What are the key properties of 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53187209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).