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

C14H14Cl2N6S — CID 139440708

IUPAC6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESNc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCNCC3)nn12
InChIInChI=1S/C14H14Cl2N6S/c15-9-3-1-2-8(10(9)16)11-12(17)22-13(19-11)23-14(20-22)21-6-4-18-5-7-21/h1-3,18H,4-7,17H2
InChIKeyFQOMDQREELQTJP-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.76
Rot. Bonds2

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

6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 139440708) has the molecular formula C14H14Cl2N6S and a molecular weight of 369.28 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID139440708
Molecular FormulaC14H14Cl2N6S
Molecular Weight369.28 g/mol
Exact Mass368.04
IUPAC Name6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESNc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCNCC3)nn12
InChIInChI=1S/C14H14Cl2N6S/c15-9-3-1-2-8(10(9)16)11-12(17)22-13(19-11)23-14(20-22)21-6-4-18-5-7-21/h1-3,18H,4-7,17H2
InChIKeyFQOMDQREELQTJP-UHFFFAOYSA-N
XLogP2.76
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 139440708) is 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCNCC3)nn12.
What is the InChIKey of 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is FQOMDQREELQTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N6S/c15-9-3-1-2-8(10(9)16)11-12(17)22-13(19-11)23-14(20-22)21-6-4-18-5-7-21/h1-3,18H,4-7,17H2.
What are the key properties of 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 369.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 139440708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).