N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

C11H14N6S2 — CID 55238666

IUPACN-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2nncn2C)nc2sccn12
InChIInChI=1S/C11H14N6S2/c1-3-12-6-8-9(14-10-17(8)4-5-18-10)19-11-15-13-7-16(11)2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyHIQGSGKPGGIJBJ-UHFFFAOYSA-N
MW294.41 g/mol
LogP1.78
Rot. Bonds5

About N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 55238666) has the molecular formula C11H14N6S2 and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID55238666
Molecular FormulaC11H14N6S2
Molecular Weight294.41 g/mol
Exact Mass294.07
IUPAC NameN-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2nncn2C)nc2sccn12
InChIInChI=1S/C11H14N6S2/c1-3-12-6-8-9(14-10-17(8)4-5-18-10)19-11-15-13-7-16(11)2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyHIQGSGKPGGIJBJ-UHFFFAOYSA-N
XLogP1.78
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 55238666) is N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is CCNCc1c(Sc2nncn2C)nc2sccn12.
What is the InChIKey of N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is HIQGSGKPGGIJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S2/c1-3-12-6-8-9(14-10-17(8)4-5-18-10)19-11-15-13-7-16(11)2/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 294.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55238666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).