3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole

C18H12N4OS — CID 42644670

IUPAC3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole
SMILESc1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1
InChIInChI=1S/C18H12N4OS/c1-2-6-12(7-3-1)15-11-22-18(19-15)24-17(20-22)10-14-13-8-4-5-9-16(13)23-21-14/h1-9,11H,10H2
InChIKeyFGIXPVLGYCJVCU-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.19
Rot. Bonds3

About 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole

3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole (PubChem CID 42644670) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole
PubChem CID42644670
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole
SMILESc1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1
InChIInChI=1S/C18H12N4OS/c1-2-6-12(7-3-1)15-11-22-18(19-15)24-17(20-22)10-14-13-8-4-5-9-16(13)23-21-14/h1-9,11H,10H2
InChIKeyFGIXPVLGYCJVCU-UHFFFAOYSA-N
XLogP4.19
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole?
The IUPAC name of 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole (CID 42644670) is 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole is c1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1.
What is the InChIKey of 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole?
The InChIKey is FGIXPVLGYCJVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c1-2-6-12(7-3-1)15-11-22-18(19-15)24-17(20-22)10-14-13-8-4-5-9-16(13)23-21-14/h1-9,11H,10H2.
What are the key properties of 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole?
3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole has a molecular weight of 332.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1,2-benzoxazole is sourced from PubChem (CID 42644670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).