2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

C14H19N5S — CID 115334618

IUPAC2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(Cc2cn3ccsc3n2)c1C
InChIInChI=1S/C14H19N5S/c1-10-13(4-5-15-3)11(2)19(17-10)9-12-8-18-6-7-20-14(18)16-12/h6-8,15H,4-5,9H2,1-3H3
InChIKeyNJPJQBQUVSPQEH-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.02
Rot. Bonds5

About 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 115334618) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID115334618
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(Cc2cn3ccsc3n2)c1C
InChIInChI=1S/C14H19N5S/c1-10-13(4-5-15-3)11(2)19(17-10)9-12-8-18-6-7-20-14(18)16-12/h6-8,15H,4-5,9H2,1-3H3
InChIKeyNJPJQBQUVSPQEH-UHFFFAOYSA-N
XLogP2.02
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
CID 113289386
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223734
6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334565
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115334632
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
CID 115334554
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
5-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335314
2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65315793
4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
CID 115334708

Frequently Asked Questions

What is the IUPAC name of 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 115334618) is 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNCCc1c(C)nn(Cc2cn3ccsc3n2)c1C.
What is the InChIKey of 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is NJPJQBQUVSPQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-10-13(4-5-15-3)11(2)19(17-10)9-12-8-18-6-7-20-14(18)16-12/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 289.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115334618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).