N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H13N5S2 — CID 58285579

IUPACN-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1csc(-c2cnc3sc(NCCc4ccncc4)nn23)c1
InChIInChI=1S/C15H13N5S2/c1-2-13(21-9-1)12-10-18-15-20(12)19-14(22-15)17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9-10H,5,8H2,(H,17,19)
InChIKeyCAKXZZCCVXKAMY-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.57
Rot. Bonds5

About N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285579) has the molecular formula C15H13N5S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285579
Molecular FormulaC15H13N5S2
Molecular Weight327.44 g/mol
Exact Mass327.06
IUPAC NameN-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1csc(-c2cnc3sc(NCCc4ccncc4)nn23)c1
InChIInChI=1S/C15H13N5S2/c1-2-13(21-9-1)12-10-18-15-20(12)19-14(22-15)17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9-10H,5,8H2,(H,17,19)
InChIKeyCAKXZZCCVXKAMY-UHFFFAOYSA-N
XLogP3.57
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285579) is N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1csc(-c2cnc3sc(NCCc4ccncc4)nn23)c1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is CAKXZZCCVXKAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S2/c1-2-13(21-9-1)12-10-18-15-20(12)19-14(22-15)17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9-10H,5,8H2,(H,17,19).
What are the key properties of N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 327.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).