2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

C21H19N3O2S — CID 8927472

IUPAC2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c(-c2csc(NC(=O)Cc3noc4ccccc34)n2)c(C)c1
InChIInChI=1S/C21H19N3O2S/c1-12-8-13(2)20(14(3)9-12)17-11-27-21(22-17)23-19(25)10-16-15-6-4-5-7-18(15)26-24-16/h4-9,11H,10H2,1-3H3,(H,22,23,25)
InChIKeyFVPHIVMRGHHWDF-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.06
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8927472) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID8927472
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c(-c2csc(NC(=O)Cc3noc4ccccc34)n2)c(C)c1
InChIInChI=1S/C21H19N3O2S/c1-12-8-13(2)20(14(3)9-12)17-11-27-21(22-17)23-19(25)10-16-15-6-4-5-7-18(15)26-24-16/h4-9,11H,10H2,1-3H3,(H,22,23,25)
InChIKeyFVPHIVMRGHHWDF-UHFFFAOYSA-N
XLogP5.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7918438
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805976
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18203902
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2457377
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2122558
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4782858
3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 16568405
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 8927472) is 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(C)c(-c2csc(NC(=O)Cc3noc4ccccc34)n2)c(C)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FVPHIVMRGHHWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-12-8-13(2)20(14(3)9-12)17-11-27-21(22-17)23-19(25)10-16-15-6-4-5-7-18(15)26-24-16/h4-9,11H,10H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8927472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).