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

C15H22N4OS — CID 114798675

IUPAC2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2nc3sccn3c2CNC2CC2)C1
InChIInChI=1S/C15H22N4OS/c20-7-4-11-3-5-18(10-11)14-13(9-16-12-1-2-12)19-6-8-21-15(19)17-14/h6,8,11-12,16,20H,1-5,7,9-10H2
InChIKeyAQWJVZFIVODDJO-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.86
Rot. Bonds6

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

2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114798675) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
PubChem CID114798675
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2nc3sccn3c2CNC2CC2)C1
InChIInChI=1S/C15H22N4OS/c20-7-4-11-3-5-18(10-11)14-13(9-16-12-1-2-12)19-6-8-21-15(19)17-14/h6,8,11-12,16,20H,1-5,7,9-10H2
InChIKeyAQWJVZFIVODDJO-UHFFFAOYSA-N
XLogP1.86
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798563
1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679326
N-[[6-(3-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43584762
2-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-yl]ethanol
CID 107228114
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084069
6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113417949
4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol
CID 102960831
1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679350
2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 114798539
[6-(4-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61421693
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol (CID 114798675) is 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol is OCCC1CCN(c2nc3sccn3c2CNC2CC2)C1.
What is the InChIKey of 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is AQWJVZFIVODDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c20-7-4-11-3-5-18(10-11)14-13(9-16-12-1-2-12)19-6-8-21-15(19)17-14/h6,8,11-12,16,20H,1-5,7,9-10H2.
What are the key properties of 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol?
2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 306.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).