N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide

C18H15FN2O2S — CID 86991418

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H15FN2O2S/c19-14-8-6-12(7-9-14)15(22)10-20-17(23)16-11-21-18(24-16)13-4-2-1-3-5-13/h1-9,11,15,22H,10H2,(H,20,23)
InChIKeySPQHSZTWZFBZLF-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 86991418) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID86991418
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H15FN2O2S/c19-14-8-6-12(7-9-14)15(22)10-20-17(23)16-11-21-18(24-16)13-4-2-1-3-5-13/h1-9,11,15,22H,10H2,(H,20,23)
InChIKeySPQHSZTWZFBZLF-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 86991418) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(NCC(O)c1ccc(F)cc1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SPQHSZTWZFBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c19-14-8-6-12(7-9-14)15(22)10-20-17(23)16-11-21-18(24-16)13-4-2-1-3-5-13/h1-9,11,15,22H,10H2,(H,20,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86991418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).