2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide

C23H18N2O3S — CID 155565206

IUPAC2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(C(O)c2ccccc2)n1
InChIInChI=1S/C23H18N2O3S/c26-21(16-7-3-1-4-8-16)23-25-20(15-29-23)22(27)24-17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h1-15,21,26H,(H,24,27)
InChIKeyNKWGTWUENXUVSB-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.27
Rot. Bonds6

About 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide

2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 155565206) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID155565206
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(C(O)c2ccccc2)n1
InChIInChI=1S/C23H18N2O3S/c26-21(16-7-3-1-4-8-16)23-25-20(15-29-23)22(27)24-17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h1-15,21,26H,(H,24,27)
InChIKeyNKWGTWUENXUVSB-UHFFFAOYSA-N
XLogP5.27
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide (CID 155565206) is 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(C(O)c2ccccc2)n1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NKWGTWUENXUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-21(16-7-3-1-4-8-16)23-25-20(15-29-23)22(27)24-17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h1-15,21,26H,(H,24,27).
What are the key properties of 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155565206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).