chempirical

Inh1

C18H16N2OSCAS 313553-47-8308.40 g/mol

Open in Covalent MOL file
SNHON

Properties

Molecular formula
C18H16N2OS
Molar mass
308.40 g/mol
Exact mass
308.0983 Da
logP
5.06Crippen estimate
Polar surface area
45.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
313553-47-8
SMILES
Cc1ccc(-c2csc(N=C(O)c3ccccc3)n2)c(C)c1
InChIKey
JPMOKRWIYQGMJL-UHFFFAOYSA-N
InChI
InChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • INH 1
  • Benzamide, N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-
  • N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]benzamide
  • IBT 13131

Work with Inh1

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(2,5-Dimethylphenyl)-1,3-thiazol-2-amine101967-39-939 % similar 3-Methylbenzohydrazide13050-47-037 % similar 2,4-Dimethylbenzophenone1140-14-336 % similar Dibenzoylhydrazine787-84-836 % similar N-(2,4-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide92-75-135 % similar N-(4-Amino-5-methoxy-2-methylphenyl)benzamide99-21-835 % similar 2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine1668-53-734 % similar N-(3-Aminophenyl)benzamide16091-26-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia