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

C10H12N6S — CID 113289240

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1ncn[nH]1
InChIInChI=1S/C10H12N6S/c1-11-8(9-12-6-13-15-9)4-7-5-16-2-3-17-10(16)14-7/h2-3,5-6,8,11H,4H2,1H3,(H,12,13,15)
InChIKeyQXNOPVHSSSYLDP-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.02
Rot. Bonds4

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

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 113289240) has the molecular formula C10H12N6S and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID113289240
Molecular FormulaC10H12N6S
Molecular Weight248.32 g/mol
Exact Mass248.08
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1ncn[nH]1
InChIInChI=1S/C10H12N6S/c1-11-8(9-12-6-13-15-9)4-7-5-16-2-3-17-10(16)14-7/h2-3,5-6,8,11H,4H2,1H3,(H,12,13,15)
InChIKeyQXNOPVHSSSYLDP-UHFFFAOYSA-N
XLogP1.02
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105023446
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 115333927
1-(4-ethylthiadiazol-5-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174064
1-(1,5-dimethylpyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174084
1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333502
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023768
1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 107946541
3-imidazo[2,1-b][1,3]thiazol-6-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 115333859
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
CID 115332363
(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethyl)hydrazine
CID 105203575
4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylbutan-2-amine
CID 113289195

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 113289240) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is CNC(Cc1cn2ccsc2n1)c1ncn[nH]1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is QXNOPVHSSSYLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-11-8(9-12-6-13-15-9)4-7-5-16-2-3-17-10(16)14-7/h2-3,5-6,8,11H,4H2,1H3,(H,12,13,15).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 248.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 113289240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).