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

C17H14N4O2S — CID 122136210

IUPAC2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1-c1csc(NC(=O)Cc2noc(C)c2C#N)n1
InChIInChI=1S/C17H14N4O2S/c1-10-5-3-4-6-12(10)15-9-24-17(19-15)20-16(22)7-14-13(8-18)11(2)23-21-14/h3-6,9H,7H2,1-2H3,(H,19,20,22)
InChIKeyGQGJMAOYROQZGU-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.47
Rot. Bonds4

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

2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 122136210) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID122136210
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1-c1csc(NC(=O)Cc2noc(C)c2C#N)n1
InChIInChI=1S/C17H14N4O2S/c1-10-5-3-4-6-12(10)15-9-24-17(19-15)20-16(22)7-14-13(8-18)11(2)23-21-14/h3-6,9H,7H2,1-2H3,(H,19,20,22)
InChIKeyGQGJMAOYROQZGU-UHFFFAOYSA-N
XLogP3.47
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethylamino)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119711421
2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8927472
N-[3-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 39017008
2-(4-fluorophenyl)sulfanyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 39804824
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 154750390
3-acetamido-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55655642
benzyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]carbamate
CID 60510936
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4782858
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 8753150

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 122136210) is 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccccc1-c1csc(NC(=O)Cc2noc(C)c2C#N)n1.
What is the InChIKey of 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GQGJMAOYROQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10-5-3-4-6-12(10)15-9-24-17(19-15)20-16(22)7-14-13(8-18)11(2)23-21-14/h3-6,9H,7H2,1-2H3,(H,19,20,22).
What are the key properties of 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122136210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).