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

C20H19FN2O2S — CID 71729651

IUPAC2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1csc(C(O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN2O2S/c21-16-8-6-15(7-9-16)12-18(24)20-23-17(13-26-20)19(25)22-11-10-14-4-2-1-3-5-14/h1-9,13,18,24H,10-12H2,(H,22,25)
InChIKeyGGHQUVNGYRTIPY-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.53
Rot. Bonds7

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

2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 71729651) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID71729651
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1csc(C(O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN2O2S/c21-16-8-6-15(7-9-16)12-18(24)20-23-17(13-26-20)19(25)22-11-10-14-4-2-1-3-5-14/h1-9,13,18,24H,10-12H2,(H,22,25)
InChIKeyGGHQUVNGYRTIPY-UHFFFAOYSA-N
XLogP3.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 71729651) is 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCc1ccccc1)c1csc(C(O)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GGHQUVNGYRTIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-16-8-6-15(7-9-16)12-18(24)20-23-17(13-26-20)19(25)22-11-10-14-4-2-1-3-5-14/h1-9,13,18,24H,10-12H2,(H,22,25).
What are the key properties of 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1-hydroxyethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71729651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).