4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

C14H20FN3O3S — CID 121303301

IUPAC4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1
InChIInChI=1S/C14H20FN3O3S/c1-14(2,21)8-16-11(19)12-17-10(7-22-12)13(20)18-5-3-9(15)4-6-18/h7,9,21H,3-6,8H2,1-2H3,(H,16,19)
InChIKeyQAVWCKUVHGHZJJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.22
Rot. Bonds4

About 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 121303301) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID121303301
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1
InChIInChI=1S/C14H20FN3O3S/c1-14(2,21)8-16-11(19)12-17-10(7-22-12)13(20)18-5-3-9(15)4-6-18/h7,9,21H,3-6,8H2,1-2H3,(H,16,19)
InChIKeyQAVWCKUVHGHZJJ-UHFFFAOYSA-N
XLogP1.22
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (CID 121303301) is 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1.
What is the InChIKey of 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is QAVWCKUVHGHZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-14(2,21)8-16-11(19)12-17-10(7-22-12)13(20)18-5-3-9(15)4-6-18/h7,9,21H,3-6,8H2,1-2H3,(H,16,19).
What are the key properties of 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121303301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).