3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine

C13H11N7S2 — CID 2999775

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2cn3ccsc3n2)nnc1-c1ccncc1
InChIInChI=1S/C13H11N7S2/c14-20-11(9-1-3-15-4-2-9)17-18-13(20)22-8-10-7-19-5-6-21-12(19)16-10/h1-7H,8,14H2
InChIKeyYJZSIXUYOXPFHM-UHFFFAOYSA-N
MW329.41 g/mol
LogP2.06
Rot. Bonds4

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine (PubChem CID 2999775) has the molecular formula C13H11N7S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
PubChem CID2999775
Molecular FormulaC13H11N7S2
Molecular Weight329.41 g/mol
Exact Mass329.05
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2cn3ccsc3n2)nnc1-c1ccncc1
InChIInChI=1S/C13H11N7S2/c14-20-11(9-1-3-15-4-2-9)17-18-13(20)22-8-10-7-19-5-6-21-12(19)16-10/h1-7H,8,14H2
InChIKeyYJZSIXUYOXPFHM-UHFFFAOYSA-N
XLogP2.06
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine (CID 2999775) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine is Nn1c(SCc2cn3ccsc3n2)nnc1-c1ccncc1.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The InChIKey is YJZSIXUYOXPFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7S2/c14-20-11(9-1-3-15-4-2-9)17-18-13(20)22-8-10-7-19-5-6-21-12(19)16-10/h1-7H,8,14H2.
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine has a molecular weight of 329.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 2999775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).