1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide

C18H20FN3O2S — CID 110675566

IUPAC1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H20FN3O2S/c19-14-3-1-12(2-4-14)15-11-25-16(21-15)5-6-17(23)22-9-7-13(8-10-22)18(20)24/h1-4,11,13H,5-10H2,(H2,20,24)
InChIKeySFXYGQUXISLIDH-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.61
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide

1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 110675566) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
PubChem CID110675566
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H20FN3O2S/c19-14-3-1-12(2-4-14)15-11-25-16(21-15)5-6-17(23)22-9-7-13(8-10-22)18(20)24/h1-4,11,13H,5-10H2,(H2,20,24)
InChIKeySFXYGQUXISLIDH-UHFFFAOYSA-N
XLogP2.61
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-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 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide (CID 110675566) is 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is SFXYGQUXISLIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c19-14-3-1-12(2-4-14)15-11-25-16(21-15)5-6-17(23)22-9-7-13(8-10-22)18(20)24/h1-4,11,13H,5-10H2,(H2,20,24).
What are the key properties of 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide?
1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 110675566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).