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

C13H17N5S — CID 62349710

IUPACN-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(-n2cnc(C)c2C)nc2sccn12
InChIInChI=1S/C13H17N5S/c1-4-14-7-11-12(16-13-17(11)5-6-19-13)18-8-15-9(2)10(18)3/h5-6,8,14H,4,7H2,1-3H3
InChIKeyFFJPNOVNRNXQQL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.31
Rot. Bonds4

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

N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 62349710) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID62349710
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC NameN-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(-n2cnc(C)c2C)nc2sccn12
InChIInChI=1S/C13H17N5S/c1-4-14-7-11-12(16-13-17(11)5-6-19-13)18-8-15-9(2)10(18)3/h5-6,8,14H,4,7H2,1-3H3
InChIKeyFFJPNOVNRNXQQL-UHFFFAOYSA-N
XLogP2.31
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63071941
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 61237982
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 62129252
1-[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63815717
N-[[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 79188181
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892
1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782872
N-[(6-indazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 62140386
N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63808415
N-[[6-(3,4,5-trimethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 114538713
N-[[6-(2-ethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63069814
N-cyclopropyl-N-ethyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476423

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 62349710) is N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is CCNCc1c(-n2cnc(C)c2C)nc2sccn12.
What is the InChIKey of N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is FFJPNOVNRNXQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-4-14-7-11-12(16-13-17(11)5-6-19-13)18-8-15-9(2)10(18)3/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 275.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62349710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).