[6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C11H15N3O3S3 — CID 66382602

IUPAC[6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCS(=O)(=O)C1CSCCN1c1nc2sccn2c1CO
InChIInChI=1S/C11H15N3O3S3/c1-20(16,17)9-7-18-4-2-14(9)10-8(6-15)13-3-5-19-11(13)12-10/h3,5,9,15H,2,4,6-7H2,1H3
InChIKeyNATKRDAXOGWGAC-UHFFFAOYSA-N
MW333.46 g/mol
LogP0.81
Rot. Bonds3

About [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 66382602) has the molecular formula C11H15N3O3S3 and a molecular weight of 333.46 g/mol. Its IUPAC name is [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID66382602
Molecular FormulaC11H15N3O3S3
Molecular Weight333.46 g/mol
Exact Mass333.03
IUPAC Name[6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCS(=O)(=O)C1CSCCN1c1nc2sccn2c1CO
InChIInChI=1S/C11H15N3O3S3/c1-20(16,17)9-7-18-4-2-14(9)10-8(6-15)13-3-5-19-11(13)12-10/h3,5,9,15H,2,4,6-7H2,1H3
InChIKeyNATKRDAXOGWGAC-UHFFFAOYSA-N
XLogP0.81
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102782269
[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanol
CID 61410760
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 16779989
[6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 83056287
1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
CID 81103549
[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 66392728
4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
CID 64695935
[6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 63158682
6-(3-methylsulfonylthiomorpholin-4-yl)pyridine-2-carbothioamide
CID 66382679
4-[3-(chloromethyl)-4-pyridinyl]-3-methylsulfonylthiomorpholine
CID 81233805
(6-thiomorpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476395
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66384396

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 66382602) is [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol is CS(=O)(=O)C1CSCCN1c1nc2sccn2c1CO.
What is the InChIKey of [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is NATKRDAXOGWGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S3/c1-20(16,17)9-7-18-4-2-14(9)10-8(6-15)13-3-5-19-11(13)12-10/h3,5,9,15H,2,4,6-7H2,1H3.
What are the key properties of [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 333.46 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylsulfonylthiomorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 66382602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).