2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide

C9H12FN3O2S — CID 167950169

IUPAC2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC[C@@H](F)[C@H](O)C2)s1
InChIInChI=1S/C9H12FN3O2S/c10-5-1-2-13(4-6(5)14)9-12-3-7(16-9)8(11)15/h3,5-6,14H,1-2,4H2,(H2,11,15)/t5-,6-/m1/s1
InChIKeyQHJVWYROZWIGFB-PHDIDXHHSA-N
MW245.28 g/mol
LogP0.15
Rot. Bonds2

About 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide

2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 167950169) has the molecular formula C9H12FN3O2S and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID167950169
Molecular FormulaC9H12FN3O2S
Molecular Weight245.28 g/mol
Exact Mass245.06
IUPAC Name2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC[C@@H](F)[C@H](O)C2)s1
InChIInChI=1S/C9H12FN3O2S/c10-5-1-2-13(4-6(5)14)9-12-3-7(16-9)8(11)15/h3,5-6,14H,1-2,4H2,(H2,11,15)/t5-,6-/m1/s1
InChIKeyQHJVWYROZWIGFB-PHDIDXHHSA-N
XLogP0.15
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 167950169) is 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CC[C@@H](F)[C@H](O)C2)s1.
What is the InChIKey of 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QHJVWYROZWIGFB-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H12FN3O2S/c10-5-1-2-13(4-6(5)14)9-12-3-7(16-9)8(11)15/h3,5-6,14H,1-2,4H2,(H2,11,15)/t5-,6-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167950169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).