N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide

C25H23N3OS — CID 10295235

IUPACN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)Cc3ccccc3)c2)s1
InChIInChI=1S/C25H23N3OS/c1-3-23-28-24(19-11-7-8-17(2)14-19)25(30-23)20-12-13-26-21(16-20)27-22(29)15-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3,(H,26,27,29)
InChIKeyIKWWNWZDGSCJRW-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.92
Rot. Bonds6

About N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide

N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 10295235) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID10295235
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)Cc3ccccc3)c2)s1
InChIInChI=1S/C25H23N3OS/c1-3-23-28-24(19-11-7-8-17(2)14-19)25(30-23)20-12-13-26-21(16-20)27-22(29)15-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3,(H,26,27,29)
InChIKeyIKWWNWZDGSCJRW-UHFFFAOYSA-N
XLogP5.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
CID 491941
Tak-715
CID 9952773
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-(1-(S)-Phenylethyl)amino-4-pyridinyl)thiazole
CID 10390073
N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
CID 123372490
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide (CID 10295235) is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)Cc3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is IKWWNWZDGSCJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-3-23-28-24(19-11-7-8-17(2)14-19)25(30-23)20-12-13-26-21(16-20)27-22(29)15-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3,(H,26,27,29).
What are the key properties of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 413.55 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 10295235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).