N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H13N5S2 — CID 67220980

IUPACN-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(CCNc2nn3cc(-c4ccsc4)nc3s2)nc1
InChIInChI=1S/C15H13N5S2/c1-2-6-16-12(3-1)4-7-17-14-19-20-9-13(18-15(20)22-14)11-5-8-21-10-11/h1-3,5-6,8-10H,4,7H2,(H,17,19)
InChIKeyUGABAUUSSBXCSU-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.57
Rot. Bonds5

About N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67220980) has the molecular formula C15H13N5S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67220980
Molecular FormulaC15H13N5S2
Molecular Weight327.44 g/mol
Exact Mass327.06
IUPAC NameN-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(CCNc2nn3cc(-c4ccsc4)nc3s2)nc1
InChIInChI=1S/C15H13N5S2/c1-2-6-16-12(3-1)4-7-17-14-19-20-9-13(18-15(20)22-14)11-5-8-21-10-11/h1-3,5-6,8-10H,4,7H2,(H,17,19)
InChIKeyUGABAUUSSBXCSU-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-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67220980) is N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(CCNc2nn3cc(-c4ccsc4)nc3s2)nc1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UGABAUUSSBXCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S2/c1-2-6-16-12(3-1)4-7-17-14-19-20-9-13(18-15(20)22-14)11-5-8-21-10-11/h1-3,5-6,8-10H,4,7H2,(H,17,19).
What are the key properties of N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-pyridin-2-ylethyl)-6-thiophen-3-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-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67220980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).