N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

C18H22FN3OS — CID 164622279

IUPACN-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCC(F)CC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H22FN3OS/c19-15-7-11-22(12-8-15)10-4-9-20-17(23)16-13-21-18(24-16)14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,20,23)
InChIKeyJZXSJUZUTNWYTM-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.36
Rot. Bonds6

About N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 164622279) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID164622279
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCC(F)CC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H22FN3OS/c19-15-7-11-22(12-8-15)10-4-9-20-17(23)16-13-21-18(24-16)14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,20,23)
InChIKeyJZXSJUZUTNWYTM-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 164622279) is N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCC(F)CC1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JZXSJUZUTNWYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c19-15-7-11-22(12-8-15)10-4-9-20-17(23)16-13-21-18(24-16)14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,20,23).
What are the key properties of N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164622279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).