2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide

C19H19N3OS — CID 110329692

IUPAC2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(C)c(CC(=O)NCc3ccccn3)s2)cc1
InChIInChI=1S/C19H19N3OS/c1-13-6-8-15(9-7-13)19-22-14(2)17(24-19)11-18(23)21-12-16-5-3-4-10-20-16/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyXOXQFPUVQBTJTO-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.68
Rot. Bonds5

About 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 110329692) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID110329692
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(C)c(CC(=O)NCc3ccccn3)s2)cc1
InChIInChI=1S/C19H19N3OS/c1-13-6-8-15(9-7-13)19-22-14(2)17(24-19)11-18(23)21-12-16-5-3-4-10-20-16/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyXOXQFPUVQBTJTO-UHFFFAOYSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328926
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329175
N-butyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328903
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid
CID 82091194
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 110329692) is 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(-c2nc(C)c(CC(=O)NCc3ccccn3)s2)cc1.
What is the InChIKey of 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is XOXQFPUVQBTJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-6-8-15(9-7-13)19-22-14(2)17(24-19)11-18(23)21-12-16-5-3-4-10-20-16/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 110329692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).