N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H10N4OS2 — CID 67221005

IUPACN-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1ccco1)c1nn2c(-c3ccsc3)cnc2s1
InChIInChI=1S/C13H10N4OS2/c1-16(11-3-2-5-18-11)13-15-17-10(7-14-12(17)20-13)9-4-6-19-8-9/h2-8H,1H3
InChIKeyLCNHMDKMKGYQPK-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.88
Rot. Bonds3

About N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221005) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221005
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC NameN-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1ccco1)c1nn2c(-c3ccsc3)cnc2s1
InChIInChI=1S/C13H10N4OS2/c1-16(11-3-2-5-18-11)13-15-17-10(7-14-12(17)20-13)9-4-6-19-8-9/h2-8H,1H3
InChIKeyLCNHMDKMKGYQPK-UHFFFAOYSA-N
XLogP3.88
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221005) is N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(c1ccco1)c1nn2c(-c3ccsc3)cnc2s1.
What is the InChIKey of N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LCNHMDKMKGYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c1-16(11-3-2-5-18-11)13-15-17-10(7-14-12(17)20-13)9-4-6-19-8-9/h2-8H,1H3.
What are the key properties of N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 302.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).