N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide

C27H25N3O2S — CID 4682991

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C27H25N3O2S/c1-3-30(4-2)22-17-15-21(16-18-22)26(32)29-27-28-23(19-11-7-5-8-12-19)25(33-27)24(31)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3,(H,28,29,32)
InChIKeyVHBVYNIUFKHTFI-UHFFFAOYSA-N
MW455.58 g/mol
LogP6.14
Rot. Bonds8

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide (PubChem CID 4682991) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
PubChem CID4682991
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C27H25N3O2S/c1-3-30(4-2)22-17-15-21(16-18-22)26(32)29-27-28-23(19-11-7-5-8-12-19)25(33-27)24(31)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3,(H,28,29,32)
InChIKeyVHBVYNIUFKHTFI-UHFFFAOYSA-N
XLogP6.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
CID 43980889
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 112811296
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-[bis(prop-2-enyl)sulfamoyl]benzamide
CID 4118461
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 5203607
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112812503
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide (CID 4682991) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide?
The InChIKey is VHBVYNIUFKHTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-3-30(4-2)22-17-15-21(16-18-22)26(32)29-27-28-23(19-11-7-5-8-12-19)25(33-27)24(31)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3,(H,28,29,32).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide has a molecular weight of 455.58 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide is sourced from PubChem (CID 4682991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).