6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

C17H19Cl2N5S — CID 158163317

IUPAC6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCCC1(C)CCN(c2nn3c(N)c(-c4cccc(Cl)c4Cl)nc3s2)C1
InChIInChI=1S/C17H19Cl2N5S/c1-3-17(2)7-8-23(9-17)16-22-24-14(20)13(21-15(24)25-16)10-5-4-6-11(18)12(10)19/h4-6H,3,7-9,20H2,1-2H3
InChIKeyFWEDWXXLRTYRDA-UHFFFAOYSA-N
MW396.35 g/mol
LogP4.97
Rot. Bonds3

About 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 158163317) has the molecular formula C17H19Cl2N5S and a molecular weight of 396.35 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID158163317
Molecular FormulaC17H19Cl2N5S
Molecular Weight396.35 g/mol
Exact Mass395.07
IUPAC Name6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCCC1(C)CCN(c2nn3c(N)c(-c4cccc(Cl)c4Cl)nc3s2)C1
InChIInChI=1S/C17H19Cl2N5S/c1-3-17(2)7-8-23(9-17)16-22-24-14(20)13(21-15(24)25-16)10-5-4-6-11(18)12(10)19/h4-6H,3,7-9,20H2,1-2H3
InChIKeyFWEDWXXLRTYRDA-UHFFFAOYSA-N
XLogP4.97
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 158163317) is 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is CCC1(C)CCN(c2nn3c(N)c(-c4cccc(Cl)c4Cl)nc3s2)C1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is FWEDWXXLRTYRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5S/c1-3-17(2)7-8-23(9-17)16-22-24-14(20)13(21-15(24)25-16)10-5-4-6-11(18)12(10)19/h4-6H,3,7-9,20H2,1-2H3.
What are the key properties of 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 396.35 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 158163317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).