N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide

C18H17N3OS — CID 46948682

IUPACN-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)(c1ccccc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H17N3OS/c1-13(22)21-18(2,15-6-4-3-5-7-15)17-20-16(12-23-17)14-8-10-19-11-9-14/h3-12H,1-2H3,(H,21,22)
InChIKeyKWXMDKGIOSBBTG-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.60
Rot. Bonds4

About N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide

N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 46948682) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID46948682
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)(c1ccccc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H17N3OS/c1-13(22)21-18(2,15-6-4-3-5-7-15)17-20-16(12-23-17)14-8-10-19-11-9-14/h3-12H,1-2H3,(H,21,22)
InChIKeyKWXMDKGIOSBBTG-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide (CID 46948682) is N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide is CC(=O)NC(C)(c1ccccc1)c1nc(-c2ccncc2)cs1.
What is the InChIKey of N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is KWXMDKGIOSBBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13(22)21-18(2,15-6-4-3-5-7-15)17-20-16(12-23-17)14-8-10-19-11-9-14/h3-12H,1-2H3,(H,21,22).
What are the key properties of N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide?
N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 46948682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).