N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide

C24H20N2O2S — CID 16651563

IUPACN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3ccc(Oc4ccccc4)cc3)s2)c1
InChIInChI=1S/C24H20N2O2S/c1-17-6-5-7-18(14-17)15-22-16-25-24(29-22)26-23(27)19-10-12-21(13-11-19)28-20-8-3-2-4-9-20/h2-14,16H,15H2,1H3,(H,25,26,27)
InChIKeyRDGNWEOOFZKCOV-UHFFFAOYSA-N
MW400.50 g/mol
LogP6.09
Rot. Bonds6

About N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide (PubChem CID 16651563) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
PubChem CID16651563
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3ccc(Oc4ccccc4)cc3)s2)c1
InChIInChI=1S/C24H20N2O2S/c1-17-6-5-7-18(14-17)15-22-16-25-24(29-22)26-23(27)19-10-12-21(13-11-19)28-20-8-3-2-4-9-20/h2-14,16H,15H2,1H3,(H,25,26,27)
InChIKeyRDGNWEOOFZKCOV-UHFFFAOYSA-N
XLogP6.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide?
The IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide (CID 16651563) is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide is Cc1cccc(Cc2cnc(NC(=O)c3ccc(Oc4ccccc4)cc3)s2)c1.
What is the InChIKey of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide?
The InChIKey is RDGNWEOOFZKCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17-6-5-7-18(14-17)15-22-16-25-24(29-22)26-23(27)19-10-12-21(13-11-19)28-20-8-3-2-4-9-20/h2-14,16H,15H2,1H3,(H,25,26,27).
What are the key properties of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide?
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide has a molecular weight of 400.50 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide is sourced from PubChem (CID 16651563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).