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

C9H9N5O3S — CID 33356859

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cnc([N+](=O)[O-])c2)n1
InChIInChI=1S/C9H9N5O3S/c1-6-4-18-9(11-6)12-8(15)3-13-2-7(10-5-13)14(16)17/h2,4-5H,3H2,1H3,(H,11,12,15)
InChIKeyKNDFPHFFYPDUPC-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.19
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide (PubChem CID 33356859) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide
PubChem CID33356859
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cnc([N+](=O)[O-])c2)n1
InChIInChI=1S/C9H9N5O3S/c1-6-4-18-9(11-6)12-8(15)3-13-2-7(10-5-13)14(16)17/h2,4-5H,3H2,1H3,(H,11,12,15)
InChIKeyKNDFPHFFYPDUPC-UHFFFAOYSA-N
XLogP1.19
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2528589
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 39030664
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 24650226
N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 24650230
2-(4-nitroimidazol-1-yl)-N-(phenylcarbamoyl)acetamide
CID 24650223
N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 690914
N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 33356171
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide
CID 31915532
2-(2-methyl-3-nitrophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60518424
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 25417352

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide (CID 33356859) is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide is Cc1csc(NC(=O)Cn2cnc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide?
The InChIKey is KNDFPHFFYPDUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c1-6-4-18-9(11-6)12-8(15)3-13-2-7(10-5-13)14(16)17/h2,4-5H,3H2,1H3,(H,11,12,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide has a molecular weight of 267.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 33356859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).