5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide

C20H16N4O2S — CID 59004527

IUPAC5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide
SMILESCc1cnccc1NC(=O)c1ncc(-c2cc(-c3ncco3)ccc2C)s1
InChIInChI=1S/C20H16N4O2S/c1-12-3-4-14(19-22-7-8-26-19)9-15(12)17-11-23-20(27-17)18(25)24-16-5-6-21-10-13(16)2/h3-11H,1-2H3,(H,21,24,25)
InChIKeyVBSWUCGLLIFGSA-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.73
Rot. Bonds4

About 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide

5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide (PubChem CID 59004527) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide
PubChem CID59004527
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide
SMILESCc1cnccc1NC(=O)c1ncc(-c2cc(-c3ncco3)ccc2C)s1
InChIInChI=1S/C20H16N4O2S/c1-12-3-4-14(19-22-7-8-26-19)9-15(12)17-11-23-20(27-17)18(25)24-16-5-6-21-10-13(16)2/h3-11H,1-2H3,(H,21,24,25)
InChIKeyVBSWUCGLLIFGSA-UHFFFAOYSA-N
XLogP4.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide 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 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide (CID 59004527) is 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide is Cc1cnccc1NC(=O)c1ncc(-c2cc(-c3ncco3)ccc2C)s1.
What is the InChIKey of 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide?
The InChIKey is VBSWUCGLLIFGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-12-3-4-14(19-22-7-8-26-19)9-15(12)17-11-23-20(27-17)18(25)24-16-5-6-21-10-13(16)2/h3-11H,1-2H3,(H,21,24,25).
What are the key properties of 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide?
5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-(3-methyl-4-pyridinyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 59004527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).