2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide

C18H17N3O2S — CID 51256063

IUPAC2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(C)c3cccnc3)cs2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(14-4-3-9-19-10-14)20-17(22)16-11-24-18(21-16)13-5-7-15(23-2)8-6-13/h3-12H,1-2H3,(H,20,22)
InChIKeyVLGUTBPIVPMUGK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.70
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 51256063) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID51256063
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(C)c3cccnc3)cs2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(14-4-3-9-19-10-14)20-17(22)16-11-24-18(21-16)13-5-7-15(23-2)8-6-13/h3-12H,1-2H3,(H,20,22)
InChIKeyVLGUTBPIVPMUGK-UHFFFAOYSA-N
XLogP3.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-4-carboxamide
CID 51647272
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190
2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55407765
N-[1-(3,4-difluorophenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 45355568
1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 53147781
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide (CID 51256063) is 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC(C)c3cccnc3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VLGUTBPIVPMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(14-4-3-9-19-10-14)20-17(22)16-11-24-18(21-16)13-5-7-15(23-2)8-6-13/h3-12H,1-2H3,(H,20,22).
What are the key properties of 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51256063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).