N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H13N5OS — CID 176577918

IUPACN-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(-c2ccc(-n3ccnc3)cc2C)s1
InChIInChI=1S/C14H13N5OS/c1-9-7-11(19-6-5-15-8-19)3-4-12(9)13-17-18-14(21-13)16-10(2)20/h3-8H,1-2H3,(H,16,18,20)
InChIKeyXIWZUXHBRNTUOL-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.66
Rot. Bonds3

About N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 176577918) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID176577918
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(-c2ccc(-n3ccnc3)cc2C)s1
InChIInChI=1S/C14H13N5OS/c1-9-7-11(19-6-5-15-8-19)3-4-12(9)13-17-18-14(21-13)16-10(2)20/h3-8H,1-2H3,(H,16,18,20)
InChIKeyXIWZUXHBRNTUOL-UHFFFAOYSA-N
XLogP2.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-imidazol-1-yl-2-methylaniline
CID 14450260
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
N-[5-[(4-imidazol-1-yl-2-methoxy-6-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 176576852
N-[5-[(4-imidazol-1-yl-2-piperidin-4-ylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]acetamide
CID 176578177
4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide
CID 145137268
2-[5-[[(1R,5R,6R)-6-fluoro-1-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
CID 167369224
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
2-[5-[[(1R,2R,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
CID 167368908
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 176577918) is N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(-c2ccc(-n3ccnc3)cc2C)s1.
What is the InChIKey of N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is XIWZUXHBRNTUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-7-11(19-6-5-15-8-19)3-4-12(9)13-17-18-14(21-13)16-10(2)20/h3-8H,1-2H3,(H,16,18,20).
What are the key properties of N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 176577918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).