N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide

C17H12N4OS — CID 2127052

IUPACN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccc1
InChIInChI=1S/C17H12N4OS/c22-15(13-9-5-2-6-10-13)19-16-20-21-11-14(18-17(21)23-16)12-7-3-1-4-8-12/h1-11H,(H,19,20,22)
InChIKeyGNHHPZSPBVGHFH-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.71
Rot. Bonds3

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

N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide (PubChem CID 2127052) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
PubChem CID2127052
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccc1
InChIInChI=1S/C17H12N4OS/c22-15(13-9-5-2-6-10-13)19-16-20-21-11-14(18-17(21)23-16)12-7-3-1-4-8-12/h1-11H,(H,19,20,22)
InChIKeyGNHHPZSPBVGHFH-UHFFFAOYSA-N
XLogP3.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide?
The IUPAC name of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide (CID 2127052) is N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide is O=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccc1.
What is the InChIKey of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide?
The InChIKey is GNHHPZSPBVGHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c22-15(13-9-5-2-6-10-13)19-16-20-21-11-14(18-17(21)23-16)12-7-3-1-4-8-12/h1-11H,(H,19,20,22).
What are the key properties of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide?
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide has a molecular weight of 320.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2127052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).