1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine

C16H26N4S — CID 43791529

IUPAC1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2c(C)nc3sccn23)CC1
InChIInChI=1S/C16H26N4S/c1-3-4-7-19-8-5-14(6-9-19)17-12-15-13(2)18-16-20(15)10-11-21-16/h10-11,14,17H,3-9,12H2,1-2H3
InChIKeyQKTIIDUETRUIPK-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.06
Rot. Bonds6

About 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine

1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 43791529) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine
PubChem CID43791529
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2c(C)nc3sccn23)CC1
InChIInChI=1S/C16H26N4S/c1-3-4-7-19-8-5-14(6-9-19)17-12-15-13(2)18-16-20(15)10-11-21-16/h10-11,14,17H,3-9,12H2,1-2H3
InChIKeyQKTIIDUETRUIPK-UHFFFAOYSA-N
XLogP3.06
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-propylcyclopropan-1-amine
CID 103711675
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-2-amine
CID 115621649
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclooctanamine
CID 43760152
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63221874
4-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43769718
N'-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700235
2-cyclohexyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932062
N-[[6-(3-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43584762
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43786812
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 61460056
N-[(1-ethylcyclopropyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103735584

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine (CID 43791529) is 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine is CCCCN1CCC(NCc2c(C)nc3sccn23)CC1.
What is the InChIKey of 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is QKTIIDUETRUIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-3-4-7-19-8-5-14(6-9-19)17-12-15-13(2)18-16-20(15)10-11-21-16/h10-11,14,17H,3-9,12H2,1-2H3.
What are the key properties of 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine?
1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 306.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43791529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).