1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C12H16N6S — CID 54895948

IUPAC1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1cn2c(CNCc3nncn3C)c(C)nc2s1
InChIInChI=1S/C12H16N6S/c1-8-6-18-10(9(2)15-12(18)19-8)4-13-5-11-16-14-7-17(11)3/h6-7,13H,4-5H2,1-3H3
InChIKeyIRWSHWATAMIZNS-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.43
Rot. Bonds4

About 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 54895948) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID54895948
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1cn2c(CNCc3nncn3C)c(C)nc2s1
InChIInChI=1S/C12H16N6S/c1-8-6-18-10(9(2)15-12(18)19-8)4-13-5-11-16-14-7-17(11)3/h6-7,13H,4-5H2,1-3H3
InChIKeyIRWSHWATAMIZNS-UHFFFAOYSA-N
XLogP1.43
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834011
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
CID 78988134
N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 122157324
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43625829
methyl 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetate
CID 43625703
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)methanamine
CID 43625818
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639200
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 43625807
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 61208162
2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43625798
4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol
CID 61238024

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 54895948) is 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1cn2c(CNCc3nncn3C)c(C)nc2s1.
What is the InChIKey of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is IRWSHWATAMIZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-8-6-18-10(9(2)15-12(18)19-8)4-13-5-11-16-14-7-17(11)3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 276.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 54895948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).