6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C20H15ClN6OS — CID 133494020

IUPAC6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccc(-c2cn3nc(NCCc4nnc(-c5ccccc5)o4)sc3n2)cc1
InChIInChI=1S/C20H15ClN6OS/c21-15-8-6-13(7-9-15)16-12-27-20(23-16)29-19(26-27)22-11-10-17-24-25-18(28-17)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,26)
InChIKeyLKDOKBVWFSGHOK-UHFFFAOYSA-N
MW422.90 g/mol
LogP4.82
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133494020) has the molecular formula C20H15ClN6OS and a molecular weight of 422.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133494020
Molecular FormulaC20H15ClN6OS
Molecular Weight422.90 g/mol
Exact Mass422.07
IUPAC Name6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccc(-c2cn3nc(NCCc4nnc(-c5ccccc5)o4)sc3n2)cc1
InChIInChI=1S/C20H15ClN6OS/c21-15-8-6-13(7-9-15)16-12-27-20(23-16)29-19(26-27)22-11-10-17-24-25-18(28-17)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,26)
InChIKeyLKDOKBVWFSGHOK-UHFFFAOYSA-N
XLogP4.82
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653804
3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propane-1,2-diol
CID 133494882
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221786
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750647
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221230
3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
CID 4799639
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25330725
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133494020) is 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Clc1ccc(-c2cn3nc(NCCc4nnc(-c5ccccc5)o4)sc3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LKDOKBVWFSGHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6OS/c21-15-8-6-13(7-9-15)16-12-27-20(23-16)29-19(26-27)22-11-10-17-24-25-18(28-17)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,26).
What are the key properties of 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 422.90 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133494020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).