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

C12H18N4S — CID 113288904

IUPAC[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C12H18N4S/c13-6-10-2-1-3-15(7-10)8-11-9-16-4-5-17-12(16)14-11/h4-5,9-10H,1-3,6-8,13H2
InChIKeyFUUBZSGRLRQNBE-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.57
Rot. Bonds3

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

[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine (PubChem CID 113288904) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
PubChem CID113288904
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C12H18N4S/c13-6-10-2-1-3-15(7-10)8-11-9-16-4-5-17-12(16)14-11/h4-5,9-10H,1-3,6-8,13H2
InChIKeyFUUBZSGRLRQNBE-UHFFFAOYSA-N
XLogP1.57
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 115332085
6-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 95311215
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 115332088
6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334931
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 115334182
3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 115332616
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-2-carbothioamide
CID 115331860
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828

Frequently Asked Questions

What is the IUPAC name of [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine (CID 113288904) is [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine is NCC1CCCN(Cc2cn3ccsc3n2)C1.
What is the InChIKey of [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine?
The InChIKey is FUUBZSGRLRQNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c13-6-10-2-1-3-15(7-10)8-11-9-16-4-5-17-12(16)14-11/h4-5,9-10H,1-3,6-8,13H2.
What are the key properties of [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine?
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine has a molecular weight of 250.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 113288904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).