2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol

C11H18N4OS — CID 54995108

IUPAC2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1nc2sccn2c1CN
InChIInChI=1S/C11H18N4OS/c1-8(2)14(3-5-16)10-9(7-12)15-4-6-17-11(15)13-10/h4,6,8,16H,3,5,7,12H2,1-2H3
InChIKeyJZCJKJCYARYBKL-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.06
Rot. Bonds5

About 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol

2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol (PubChem CID 54995108) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol
PubChem CID54995108
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1nc2sccn2c1CN
InChIInChI=1S/C11H18N4OS/c1-8(2)14(3-5-16)10-9(7-12)15-4-6-17-11(15)13-10/h4,6,8,16H,3,5,7,12H2,1-2H3
InChIKeyJZCJKJCYARYBKL-UHFFFAOYSA-N
XLogP1.06
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol
CID 54994539
5-(aminomethyl)-N-pentyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55001985
5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476018
5-(aminomethyl)-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476275
5-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63815676
2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62923504
5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 60892756
[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
[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 107870420
5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43611472
[6-[methyl(3-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43570324

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol (CID 54995108) is 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol is CC(C)N(CCO)c1nc2sccn2c1CN.
What is the InChIKey of 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol?
The InChIKey is JZCJKJCYARYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8(2)14(3-5-16)10-9(7-12)15-4-6-17-11(15)13-10/h4,6,8,16H,3,5,7,12H2,1-2H3.
What are the key properties of 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol?
2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol has a molecular weight of 254.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 54995108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).