2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide

C24H21N3OS — CID 2457725

IUPAC2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide
SMILESO=C(Cc1sc(Nc2ccccc2)nc1-c1ccccc1)NCc1ccccc1
InChIInChI=1S/C24H21N3OS/c28-22(25-17-18-10-4-1-5-11-18)16-21-23(19-12-6-2-7-13-19)27-24(29-21)26-20-14-8-3-9-15-20/h1-15H,16-17H2,(H,25,28)(H,26,27)
InChIKeyUMDHUKVVEBLPNT-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.41
Rot. Bonds7

About 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide

2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide (PubChem CID 2457725) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide
PubChem CID2457725
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide
SMILESO=C(Cc1sc(Nc2ccccc2)nc1-c1ccccc1)NCc1ccccc1
InChIInChI=1S/C24H21N3OS/c28-22(25-17-18-10-4-1-5-11-18)16-21-23(19-12-6-2-7-13-19)27-24(29-21)26-20-14-8-3-9-15-20/h1-15H,16-17H2,(H,25,28)(H,26,27)
InChIKeyUMDHUKVVEBLPNT-UHFFFAOYSA-N
XLogP5.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide?
The IUPAC name of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide (CID 2457725) is 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide?
The canonical SMILES for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide is O=C(Cc1sc(Nc2ccccc2)nc1-c1ccccc1)NCc1ccccc1.
What is the InChIKey of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide?
The InChIKey is UMDHUKVVEBLPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c28-22(25-17-18-10-4-1-5-11-18)16-21-23(19-12-6-2-7-13-19)27-24(29-21)26-20-14-8-3-9-15-20/h1-15H,16-17H2,(H,25,28)(H,26,27).
What are the key properties of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide?
2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide has a molecular weight of 399.52 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide is sourced from PubChem (CID 2457725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).