2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol

C14H22N4OS — CID 114798563

IUPAC2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
SMILESCCNCc1c(N2CCC(CCO)C2)nc2sccn12
InChIInChI=1S/C14H22N4OS/c1-2-15-9-12-13(16-14-18(12)6-8-20-14)17-5-3-11(10-17)4-7-19/h6,8,11,15,19H,2-5,7,9-10H2,1H3
InChIKeyACXRTVDJRGOHEQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.71
Rot. Bonds6

About 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol

2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114798563) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
PubChem CID114798563
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
SMILESCCNCc1c(N2CCC(CCO)C2)nc2sccn12
InChIInChI=1S/C14H22N4OS/c1-2-15-9-12-13(16-14-18(12)6-8-20-14)17-5-3-11(10-17)4-7-19/h6,8,11,15,19H,2-5,7,9-10H2,1H3
InChIKeyACXRTVDJRGOHEQ-UHFFFAOYSA-N
XLogP1.71
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798675
N-[[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 79188181
2-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-yl]ethanol
CID 107228114
N-[[6-(3,4,5-trimethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 114538713
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113417949
N-[[6-(3-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43584762
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084069
[6-(4-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61421693
1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679326
4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one
CID 102889682
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 64575731

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol (CID 114798563) is 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol is CCNCc1c(N2CCC(CCO)C2)nc2sccn12.
What is the InChIKey of 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is ACXRTVDJRGOHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-2-15-9-12-13(16-14-18(12)6-8-20-14)17-5-3-11(10-17)4-7-19/h6,8,11,15,19H,2-5,7,9-10H2,1H3.
What are the key properties of 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol?
2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 294.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).