2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate

C19H22N4O3S — CID 57220560

IUPAC2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
SMILESCc1nnsc1CCOC(=O)c1ccccc1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C19H22N4O3S/c1-11(2)19(4)18(25)20-16(21-19)13-7-5-6-8-14(13)17(24)26-10-9-15-12(3)22-23-27-15/h5-8,11H,9-10H2,1-4H3,(H,20,21,25)
InChIKeyFQYBKXZMEKYJHK-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.54
Rot. Bonds6

About 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate

2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate (PubChem CID 57220560) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
PubChem CID57220560
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
SMILESCc1nnsc1CCOC(=O)c1ccccc1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C19H22N4O3S/c1-11(2)19(4)18(25)20-16(21-19)13-7-5-6-8-14(13)17(24)26-10-9-15-12(3)22-23-27-15/h5-8,11H,9-10H2,1-4H3,(H,20,21,25)
InChIKeyFQYBKXZMEKYJHK-UHFFFAOYSA-N
XLogP2.54
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate?
The IUPAC name of 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate (CID 57220560) is 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate.
What is the SMILES notation for 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate?
The canonical SMILES for 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate is Cc1nnsc1CCOC(=O)c1ccccc1C1=NC(C)(C(C)C)C(=O)N1.
What is the InChIKey of 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate?
The InChIKey is FQYBKXZMEKYJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11(2)19(4)18(25)20-16(21-19)13-7-5-6-8-14(13)17(24)26-10-9-15-12(3)22-23-27-15/h5-8,11H,9-10H2,1-4H3,(H,20,21,25).
What are the key properties of 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate?
2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate has a molecular weight of 386.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 57220560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).