2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C17H13FN2O2S — CID 78823798

IUPAC2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C17H13FN2O2S/c1-10-15(16(22)20-13-3-2-4-14(21)9-13)23-17(19-10)11-5-7-12(18)8-6-11/h2-9,21H,1H3,(H,20,22)
InChIKeyLYXYWYOEKFXMJL-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.22
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 78823798) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID78823798
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C17H13FN2O2S/c1-10-15(16(22)20-13-3-2-4-14(21)9-13)23-17(19-10)11-5-7-12(18)8-6-11/h2-9,21H,1H3,(H,20,22)
InChIKeyLYXYWYOEKFXMJL-UHFFFAOYSA-N
XLogP4.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 78823798) is 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LYXYWYOEKFXMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-10-15(16(22)20-13-3-2-4-14(21)9-13)23-17(19-10)11-5-7-12(18)8-6-11/h2-9,21H,1H3,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78823798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).