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

C13H10N4OS2 — CID 67221006

IUPACN-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1coc(CNc2nn3cc(-c4ccsc4)nc3s2)c1
InChIInChI=1S/C13H10N4OS2/c1-2-10(18-4-1)6-14-12-16-17-7-11(15-13(17)20-12)9-3-5-19-8-9/h1-5,7-8H,6H2,(H,14,16)
InChIKeyZIGPYXLCFRQDLB-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.72
Rot. Bonds4

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

N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221006) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221006
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC NameN-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1coc(CNc2nn3cc(-c4ccsc4)nc3s2)c1
InChIInChI=1S/C13H10N4OS2/c1-2-10(18-4-1)6-14-12-16-17-7-11(15-13(17)20-12)9-3-5-19-8-9/h1-5,7-8H,6H2,(H,14,16)
InChIKeyZIGPYXLCFRQDLB-UHFFFAOYSA-N
XLogP3.72
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221006) is N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1coc(CNc2nn3cc(-c4ccsc4)nc3s2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is ZIGPYXLCFRQDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c1-2-10(18-4-1)6-14-12-16-17-7-11(15-13(17)20-12)9-3-5-19-8-9/h1-5,7-8H,6H2,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 302.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).