N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H12N6OS — CID 58285530

IUPACN-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCn1cc(-c2cnc3sc(NCc4ccco4)nn23)cn1
InChIInChI=1S/C13H12N6OS/c1-18-8-9(5-16-18)11-7-15-13-19(11)17-12(21-13)14-6-10-3-2-4-20-10/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyFNPLKMSLRQHUAT-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.40
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285530) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285530
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCn1cc(-c2cnc3sc(NCc4ccco4)nn23)cn1
InChIInChI=1S/C13H12N6OS/c1-18-8-9(5-16-18)11-7-15-13-19(11)17-12(21-13)14-6-10-3-2-4-20-10/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyFNPLKMSLRQHUAT-UHFFFAOYSA-N
XLogP2.40
TPSA73.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285530) is N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cn1cc(-c2cnc3sc(NCc4ccco4)nn23)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is FNPLKMSLRQHUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-18-8-9(5-16-18)11-7-15-13-19(11)17-12(21-13)14-6-10-3-2-4-20-10/h2-5,7-8H,6H2,1H3,(H,14,17).
What are the key properties of N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 300.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).