2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol

C10H15N3O2S — CID 104552635

IUPAC2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc2sccn2c1CO
InChIInChI=1S/C10H15N3O2S/c1-7(5-14)12(2)9-8(6-15)13-3-4-16-10(13)11-9/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyLHJFJCPLQNKSNE-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.71
Rot. Bonds4

About 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol

2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol (PubChem CID 104552635) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
PubChem CID104552635
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc2sccn2c1CO
InChIInChI=1S/C10H15N3O2S/c1-7(5-14)12(2)9-8(6-15)13-3-4-16-10(13)11-9/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyLHJFJCPLQNKSNE-UHFFFAOYSA-N
XLogP0.71
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[methyl(3-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43570324
[6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 79486099
[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476005
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
[6-[methyl(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 61428785
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 107870420
[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 62979731
N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476481
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61449141

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol (CID 104552635) is 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol is CC(CO)N(C)c1nc2sccn2c1CO.
What is the InChIKey of 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol?
The InChIKey is LHJFJCPLQNKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(5-14)12(2)9-8(6-15)13-3-4-16-10(13)11-9/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol?
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol has a molecular weight of 241.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 104552635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).