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

C14H11N5OS — CID 58285693

IUPACN-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cncc(-c2cnc3sc(NCc4ccco4)nn23)c1
InChIInChI=1S/C14H11N5OS/c1-3-10(7-15-5-1)12-9-17-14-19(12)18-13(21-14)16-8-11-4-2-6-20-11/h1-7,9H,8H2,(H,16,18)
InChIKeyGGHRRXRHXLEANQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.06
Rot. Bonds4

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

N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285693) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285693
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC NameN-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cncc(-c2cnc3sc(NCc4ccco4)nn23)c1
InChIInChI=1S/C14H11N5OS/c1-3-10(7-15-5-1)12-9-17-14-19(12)18-13(21-14)16-8-11-4-2-6-20-11/h1-7,9H,8H2,(H,16,18)
InChIKeyGGHRRXRHXLEANQ-UHFFFAOYSA-N
XLogP3.06
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.06
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)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285693) is N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1cncc(-c2cnc3sc(NCc4ccco4)nn23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is GGHRRXRHXLEANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-3-10(7-15-5-1)12-9-17-14-19(12)18-13(21-14)16-8-11-4-2-6-20-11/h1-7,9H,8H2,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(furan-2-ylmethyl)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 297.34 g/mol, XLogP of 3.06, 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)-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).