1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol

C12H18N4OS — CID 114679350

IUPAC1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc3sccn3c2CN)CCC1O
InChIInChI=1S/C12H18N4OS/c1-8-7-15(3-2-10(8)17)11-9(6-13)16-4-5-18-12(16)14-11/h4-5,8,10,17H,2-3,6-7,13H2,1H3
InChIKeyHGAUUZXKANYNGW-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.06
Rot. Bonds2

About 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol

1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol (PubChem CID 114679350) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
PubChem CID114679350
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc3sccn3c2CN)CCC1O
InChIInChI=1S/C12H18N4OS/c1-8-7-15(3-2-10(8)17)11-9(6-13)16-4-5-18-12(16)14-11/h4-5,8,10,17H,2-3,6-7,13H2,1H3
InChIKeyHGAUUZXKANYNGW-UHFFFAOYSA-N
XLogP1.06
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679326
[6-(4-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61421693
2-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 79183495
2-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-yl]ethanol
CID 107228114
4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol
CID 102960831
[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 66370348
(6-thiomorpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476395
[6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476364
N-[[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 79188181
1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 79183887
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269
5-(chloromethyl)-6-(4-methylazepan-1-yl)imidazo[2,1-b][1,3]thiazole
CID 63623554

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol (CID 114679350) is 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol is CC1CN(c2nc3sccn3c2CN)CCC1O.
What is the InChIKey of 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol?
The InChIKey is HGAUUZXKANYNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-7-15(3-2-10(8)17)11-9(6-13)16-4-5-18-12(16)14-11/h4-5,8,10,17H,2-3,6-7,13H2,1H3.
What are the key properties of 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol?
1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol has a molecular weight of 266.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).