N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide

C18H15N3O3S — CID 90626132

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCc1nc(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C18H15N3O3S/c1-12-19-17(11-25-12)15-4-2-3-5-16(15)20-18(22)10-13-6-8-14(9-7-13)21(23)24/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyTXWHHZMREMVZEV-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.21
Rot. Bonds5

About N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 90626132) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID90626132
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCc1nc(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C18H15N3O3S/c1-12-19-17(11-25-12)15-4-2-3-5-16(15)20-18(22)10-13-6-8-14(9-7-13)21(23)24/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyTXWHHZMREMVZEV-UHFFFAOYSA-N
XLogP4.21
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 42992045
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4117062
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-nitrophenyl)acetamide
CID 121148862
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90626295
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide
CID 28865390
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626166
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide (CID 90626132) is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide is Cc1nc(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is TXWHHZMREMVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12-19-17(11-25-12)15-4-2-3-5-16(15)20-18(22)10-13-6-8-14(9-7-13)21(23)24/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 90626132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).