2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C17H12ClFN2O2S — CID 71448032

IUPAC2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(C(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H12ClFN2O2S/c18-11-3-1-2-10(8-11)15(22)17-21-14(9-24-17)16(23)20-13-6-4-12(19)5-7-13/h1-9,15,22H,(H,20,23)
InChIKeyXGPUUTKDMXRVAA-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.27
Rot. Bonds4

About 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71448032) has the molecular formula C17H12ClFN2O2S and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID71448032
Molecular FormulaC17H12ClFN2O2S
Molecular Weight362.81 g/mol
Exact Mass362.03
IUPAC Name2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(C(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H12ClFN2O2S/c18-11-3-1-2-10(8-11)15(22)17-21-14(9-24-17)16(23)20-13-6-4-12(19)5-7-13/h1-9,15,22H,(H,20,23)
InChIKeyXGPUUTKDMXRVAA-UHFFFAOYSA-N
XLogP4.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 44441229
2-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 44441228
4-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-1,3-thiazole-2-carboxylic acid
CID 44441230
4-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-1,3-thiazole-2-carboxylic acid
CID 44441231
N-[3-[2-[(3-chlorophenyl)-hydroxymethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 49792243
2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155554276
2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155557378
2-[(3-chlorophenyl)-hydroxymethyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 155559156
2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155561650
N-[3-[2-[(3,4-difluorophenyl)-hydroxymethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 49778116
N-[3-[2-[(4-fluorophenyl)-hydroxymethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 49795342
N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide
CID 155548052

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 71448032) is 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1csc(C(O)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XGPUUTKDMXRVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S/c18-11-3-1-2-10(8-11)15(22)17-21-14(9-24-17)16(23)20-13-6-4-12(19)5-7-13/h1-9,15,22H,(H,20,23).
What are the key properties of 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71448032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).