[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C12H19N3OS — CID 43476005

IUPAC[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCCC(C)CN(C)c1nc2sccn2c1CO
InChIInChI=1S/C12H19N3OS/c1-4-9(2)7-14(3)11-10(8-16)15-5-6-17-12(15)13-11/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyICZQKNSIUQYQGN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.37
Rot. Bonds5

About [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 43476005) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID43476005
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCCC(C)CN(C)c1nc2sccn2c1CO
InChIInChI=1S/C12H19N3OS/c1-4-9(2)7-14(3)11-10(8-16)15-5-6-17-12(15)13-11/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyICZQKNSIUQYQGN-UHFFFAOYSA-N
XLogP2.37
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[methyl(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 61428785
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
CID 104552635
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
[6-[methyl(3-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43570324
[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 107870420
[6-(2-methylbutylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 107762201
[6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 79486099
2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61449141
[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 62979731
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
5-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63816546
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163

Frequently Asked Questions

What is the IUPAC name of [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 43476005) is [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is CCC(C)CN(C)c1nc2sccn2c1CO.
What is the InChIKey of [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is ICZQKNSIUQYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-9(2)7-14(3)11-10(8-16)15-5-6-17-12(15)13-11/h5-6,9,16H,4,7-8H2,1-3H3.
What are the key properties of [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 253.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 43476005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).