N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide

C12H11N3O4S — CID 2088036

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
SMILESCc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H11N3O4S/c1-8-7-20-12(13-8)14-11(16)6-19-10-5-3-2-4-9(10)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChIKeyOWNUFJVWAVNTJM-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.38
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide (PubChem CID 2088036) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
PubChem CID2088036
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
SMILESCc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H11N3O4S/c1-8-7-20-12(13-8)14-11(16)6-19-10-5-3-2-4-9(10)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChIKeyOWNUFJVWAVNTJM-UHFFFAOYSA-N
XLogP2.38
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.38
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

2-(2-methyl-3-nitrophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60518424
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 4848684
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7770883
2-(2-methyl-3-nitrophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 60518149
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 42378381
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 8910755
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 108737244
ethyl 4-methyl-2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 23969085
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 19210100
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide (CID 2088036) is N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide is Cc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is OWNUFJVWAVNTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-8-7-20-12(13-8)14-11(16)6-19-10-5-3-2-4-9(10)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 293.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2088036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).