2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole

C17H14N4S — CID 3066650

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole
SMILESc1ccc(-c2ccccc2-c2nnc(C3=NCCN3)s2)cc1
InChIInChI=1S/C17H14N4S/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)16-20-21-17(22-16)15-18-10-11-19-15/h1-9H,10-11H2,(H,18,19)
InChIKeyLXNZPOAVZPZLQB-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.22
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole

2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole (PubChem CID 3066650) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole
PubChem CID3066650
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole
SMILESc1ccc(-c2ccccc2-c2nnc(C3=NCCN3)s2)cc1
InChIInChI=1S/C17H14N4S/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)16-20-21-17(22-16)15-18-10-11-19-15/h1-9H,10-11H2,(H,18,19)
InChIKeyLXNZPOAVZPZLQB-UHFFFAOYSA-N
XLogP3.22
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole (CID 3066650) is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole is c1ccc(-c2ccccc2-c2nnc(C3=NCCN3)s2)cc1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole?
The InChIKey is LXNZPOAVZPZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)16-20-21-17(22-16)15-18-10-11-19-15/h1-9H,10-11H2,(H,18,19).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole?
2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole has a molecular weight of 306.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 3066650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).