N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

C18H22Cl2N6S — CID 139434663

IUPACN-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCNCC3)nn12
InChIInChI=1S/C18H22Cl2N6S/c1-18(2,3)23-15-14(11-5-4-6-12(19)13(11)20)22-16-26(15)24-17(27-16)25-9-7-21-8-10-25/h4-6,21,23H,7-10H2,1-3H3
InChIKeyJJJZTURMSUMABN-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.38
Rot. Bonds3

About N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 139434663) has the molecular formula C18H22Cl2N6S and a molecular weight of 425.39 g/mol. Its IUPAC name is N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID139434663
Molecular FormulaC18H22Cl2N6S
Molecular Weight425.39 g/mol
Exact Mass424.10
IUPAC NameN-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCNCC3)nn12
InChIInChI=1S/C18H22Cl2N6S/c1-18(2,3)23-15-14(11-5-4-6-12(19)13(11)20)22-16-26(15)24-17(27-16)25-9-7-21-8-10-25/h4-6,21,23H,7-10H2,1-3H3
InChIKeyJJJZTURMSUMABN-UHFFFAOYSA-N
XLogP4.38
TPSA57.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 139434663) is N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is CC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCNCC3)nn12.
What is the InChIKey of N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is JJJZTURMSUMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N6S/c1-18(2,3)23-15-14(11-5-4-6-12(19)13(11)20)22-16-26(15)24-17(27-16)25-9-7-21-8-10-25/h4-6,21,23H,7-10H2,1-3H3.
What are the key properties of N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 425.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 139434663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).