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

C12H17N3O2S — CID 81103549

IUPAC1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nc3sccn3c2CO)CC1
InChIInChI=1S/C12H17N3O2S/c1-12(17)2-4-14(5-3-12)10-9(8-16)15-6-7-18-11(15)13-10/h6-7,16-17H,2-5,8H2,1H3
InChIKeyJOUINWVYIMOZNP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.24
Rot. Bonds2

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

1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol (PubChem CID 81103549) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
PubChem CID81103549
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nc3sccn3c2CO)CC1
InChIInChI=1S/C12H17N3O2S/c1-12(17)2-4-14(5-3-12)10-9(8-16)15-6-7-18-11(15)13-10/h6-7,16-17H,2-5,8H2,1H3
InChIKeyJOUINWVYIMOZNP-UHFFFAOYSA-N
XLogP1.24
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 63158682
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 16779989
4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol
CID 81096884
4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol
CID 107405457
4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
CID 64695935
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
CID 80702476
2-[6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63783269
[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 66392728
[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 62931604
6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63158673
2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55236378
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol (CID 81103549) is 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2nc3sccn3c2CO)CC1.
What is the InChIKey of 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol?
The InChIKey is JOUINWVYIMOZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(17)2-4-14(5-3-12)10-9(8-16)15-6-7-18-11(15)13-10/h6-7,16-17H,2-5,8H2,1H3.
What are the key properties of 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol?
1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol has a molecular weight of 267.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).