Methyl 3-methyl-4-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]benzoate

HCID 178498121
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc(N=C2NC(CC(C)C)CS2)c(C)c1
InChIKey
DTSBJYANPJRHRU-UHFFFAOYSA-N
Molecular formula
C16H22N2O2S
Average molar mass
306.4 g/mol
Monoisotopic mass
306.14019912

Names & identifiers

Preferred name
Methyl 3-methyl-4-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]benzoate
IUPAC
methyl 3-methyl-4-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]benzoate

Names & synonyms

SCHEMBL7863924SCHEMBL7863927

Database identifiers

PubChem CID
18316218

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
76 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
21

Related reactions

3 records
New reaction record

Linked notes

Loading…