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

C13H15N5S — CID 52945599

IUPACN-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)CNc1nn2c(-c3ccncc3)cnc2s1
InChIInChI=1S/C13H15N5S/c1-9(2)7-15-12-17-18-11(8-16-13(18)19-12)10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyBWXFREREELCTCS-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.92
Rot. Bonds4

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

N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 52945599) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID52945599
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC NameN-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)CNc1nn2c(-c3ccncc3)cnc2s1
InChIInChI=1S/C13H15N5S/c1-9(2)7-15-12-17-18-11(8-16-13(18)19-12)10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyBWXFREREELCTCS-UHFFFAOYSA-N
XLogP2.92
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 52945599) is N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)CNc1nn2c(-c3ccncc3)cnc2s1.
What is the InChIKey of N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is BWXFREREELCTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-9(2)7-15-12-17-18-11(8-16-13(18)19-12)10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 273.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 52945599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).