6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C10H13N7S — CID 127447339

IUPAC6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCCc3ncn(C)n3)sc2n1
InChIInChI=1S/C10H13N7S/c1-7-5-17-10(13-7)18-9(15-17)11-4-3-8-12-6-16(2)14-8/h5-6H,3-4H2,1-2H3,(H,11,15)
InChIKeyMIJZBWZZLXBLPX-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.88
Rot. Bonds4

About 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 127447339) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID127447339
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCCc3ncn(C)n3)sc2n1
InChIInChI=1S/C10H13N7S/c1-7-5-17-10(13-7)18-9(15-17)11-4-3-8-12-6-16(2)14-8/h5-6H,3-4H2,1-2H3,(H,11,15)
InChIKeyMIJZBWZZLXBLPX-UHFFFAOYSA-N
XLogP0.88
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 127447339) is 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NCCc3ncn(C)n3)sc2n1.
What is the InChIKey of 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is MIJZBWZZLXBLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-7-5-17-10(13-7)18-9(15-17)11-4-3-8-12-6-16(2)14-8/h5-6H,3-4H2,1-2H3,(H,11,15).
What are the key properties of 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 263.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 127447339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).