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

C20H19N3O4S — CID 1406871

IUPACN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)sc2C)cc1
InChIInChI=1S/C20H19N3O4S/c1-12-4-6-15(7-5-12)19-14(3)28-20(22-19)21-18(24)11-27-16-8-9-17(23(25)26)13(2)10-16/h4-10H,11H2,1-3H3,(H,21,22,24)
InChIKeyXUYIDROZCZQIIM-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.66
Rot. Bonds6

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

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide (PubChem CID 1406871) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
PubChem CID1406871
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)sc2C)cc1
InChIInChI=1S/C20H19N3O4S/c1-12-4-6-15(7-5-12)19-14(3)28-20(22-19)21-18(24)11-27-16-8-9-17(23(25)26)13(2)10-16/h4-10H,11H2,1-3H3,(H,21,22,24)
InChIKeyXUYIDROZCZQIIM-UHFFFAOYSA-N
XLogP4.66
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 12525792
2-(4-bromo-3-methylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172975
2-(3,4-dimethylphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19217567
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108738319
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1192500
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 1191419
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19218344
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 19195269
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide (CID 1406871) is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide is Cc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The InChIKey is XUYIDROZCZQIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-12-4-6-15(7-5-12)19-14(3)28-20(22-19)21-18(24)11-27-16-8-9-17(23(25)26)13(2)10-16/h4-10H,11H2,1-3H3,(H,21,22,24).
What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide?
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide has a molecular weight of 397.46 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 1406871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).