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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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).