N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide

C23H19N3O2S — CID 67898549

IUPACN-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide
SMILESO=C(c1ccccc1)c1cccc(NC(=O)C(C2=CSCN2)c2cccnc2)c1
InChIInChI=1S/C23H19N3O2S/c27-22(16-6-2-1-3-7-16)17-8-4-10-19(12-17)26-23(28)21(20-14-29-15-25-20)18-9-5-11-24-13-18/h1-14,21,25H,15H2,(H,26,28)
InChIKeyRLQCEFLETMBLGS-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.17
Rot. Bonds6

About N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide

N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide (PubChem CID 67898549) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide
PubChem CID67898549
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide
SMILESO=C(c1ccccc1)c1cccc(NC(=O)C(C2=CSCN2)c2cccnc2)c1
InChIInChI=1S/C23H19N3O2S/c27-22(16-6-2-1-3-7-16)17-8-4-10-19(12-17)26-23(28)21(20-14-29-15-25-20)18-9-5-11-24-13-18/h1-14,21,25H,15H2,(H,26,28)
InChIKeyRLQCEFLETMBLGS-UHFFFAOYSA-N
XLogP4.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 67898557
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
(2S)-2-hydroxy-2-phenyl-N-pyridin-3-ylacetamide
CID 118541599
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
(E)-4-(3-benzoylanilino)pent-3-en-2-one
CID 5394267
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
(2R)-N-(4-anilinophenyl)-2-hydroxy-2-pyridin-3-ylacetamide
CID 95763353
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide (CID 67898549) is N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide is O=C(c1ccccc1)c1cccc(NC(=O)C(C2=CSCN2)c2cccnc2)c1.
What is the InChIKey of N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide?
The InChIKey is RLQCEFLETMBLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-22(16-6-2-1-3-7-16)17-8-4-10-19(12-17)26-23(28)21(20-14-29-15-25-20)18-9-5-11-24-13-18/h1-14,21,25H,15H2,(H,26,28).
What are the key properties of N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide?
N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide has a molecular weight of 401.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67898549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).