(2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide

C26H23FN4O3S — CID 25106825

IUPAC(2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2nc(C(=O)c3ccc(F)cc3)cs2)c1=O
InChIInChI=1S/C26H23FN4O3S/c1-16(28-2)25(33)30-20-12-13-22(17-6-4-3-5-7-17)31(26(20)34)14-23-29-21(15-35-23)24(32)18-8-10-19(27)11-9-18/h3-13,15-16,28H,14H2,1-2H3,(H,30,33)/t16-/m0/s1
InChIKeyLYAGQIAGJTVOOJ-INIZCTEOSA-N
MW490.56 g/mol
LogP3.94
Rot. Bonds8

About (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide

(2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 25106825) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID25106825
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC Name(2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2nc(C(=O)c3ccc(F)cc3)cs2)c1=O
InChIInChI=1S/C26H23FN4O3S/c1-16(28-2)25(33)30-20-12-13-22(17-6-4-3-5-7-17)31(26(20)34)14-23-29-21(15-35-23)24(32)18-8-10-19(27)11-9-18/h3-13,15-16,28H,14H2,1-2H3,(H,30,33)/t16-/m0/s1
InChIKeyLYAGQIAGJTVOOJ-INIZCTEOSA-N
XLogP3.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (CID 25106825) is (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2nc(C(=O)c3ccc(F)cc3)cs2)c1=O.
What is the InChIKey of (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is LYAGQIAGJTVOOJ-INIZCTEOSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-16(28-2)25(33)30-20-12-13-22(17-6-4-3-5-7-17)31(26(20)34)14-23-29-21(15-35-23)24(32)18-8-10-19(27)11-9-18/h3-13,15-16,28H,14H2,1-2H3,(H,30,33)/t16-/m0/s1.
What are the key properties of (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
(2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 490.56 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 25106825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).