6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C14H12ClN3OS — CID 19209571

IUPAC6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2cn3nc(C4CCCO4)sc3n2)cc1
InChIInChI=1S/C14H12ClN3OS/c15-10-5-3-9(4-6-10)11-8-18-14(16-11)20-13(17-18)12-2-1-7-19-12/h3-6,8,12H,1-2,7H2
InChIKeyZGHVPHBRSSMRDR-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.96
Rot. Bonds2

About 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209571) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209571
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2cn3nc(C4CCCO4)sc3n2)cc1
InChIInChI=1S/C14H12ClN3OS/c15-10-5-3-9(4-6-10)11-8-18-14(16-11)20-13(17-18)12-2-1-7-19-12/h3-6,8,12H,1-2,7H2
InChIKeyZGHVPHBRSSMRDR-UHFFFAOYSA-N
XLogP3.96
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 19209571) is 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is Clc1ccc(-c2cn3nc(C4CCCO4)sc3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZGHVPHBRSSMRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-10-5-3-9(4-6-10)11-8-18-14(16-11)20-13(17-18)12-2-1-7-19-12/h3-6,8,12H,1-2,7H2.
What are the key properties of 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 305.79 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).