3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine

C14H22N4OS — CID 115332616

IUPAC3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C14H22N4OS/c15-4-1-8-19-13-2-5-17(6-3-13)10-12-11-18-7-9-20-14(18)16-12/h7,9,11,13H,1-6,8,10,15H2
InChIKeyCAALSLOGEGKMIG-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.73
Rot. Bonds6

About 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 115332616) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID115332616
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C14H22N4OS/c15-4-1-8-19-13-2-5-17(6-3-13)10-12-11-18-7-9-20-14(18)16-12/h7,9,11,13H,1-6,8,10,15H2
InChIKeyCAALSLOGEGKMIG-UHFFFAOYSA-N
XLogP1.73
TPSA55.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 115332094
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110082
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
6-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 126951563
3-[1-[(3-bromothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736578
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 115334182
N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890116
3-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79733104
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458

Frequently Asked Questions

What is the IUPAC name of 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine (CID 115332616) is 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is CAALSLOGEGKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c15-4-1-8-19-13-2-5-17(6-3-13)10-12-11-18-7-9-20-14(18)16-12/h7,9,11,13H,1-6,8,10,15H2.
What are the key properties of 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 294.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 115332616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).