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

C12H17N3OS — CID 16779989

IUPAC[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(N2CCCCCC2)nc2sccn12
InChIInChI=1S/C12H17N3OS/c16-9-10-11(13-12-15(10)7-8-17-12)14-5-3-1-2-4-6-14/h7-8,16H,1-6,9H2
InChIKeyRTGXGBAWANJHOL-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.27
Rot. Bonds2

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

[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 16779989) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID16779989
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(N2CCCCCC2)nc2sccn12
InChIInChI=1S/C12H17N3OS/c16-9-10-11(13-12-15(10)7-8-17-12)14-5-3-1-2-4-6-14/h7-8,16H,1-6,9H2
InChIKeyRTGXGBAWANJHOL-UHFFFAOYSA-N
XLogP2.27
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
CID 81103549
2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55236378
1-(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-amine
CID 63785604
[6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 63158682
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
CID 64695935
[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 66392728
[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanol
CID 61410760
2-methoxy-N-[(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63059091
[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 62931604
[6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 83056287
(6-thiomorpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476395

Frequently Asked Questions

What is the IUPAC name of [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 16779989) is [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol is OCc1c(N2CCCCCC2)nc2sccn12.
What is the InChIKey of [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is RTGXGBAWANJHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-9-10-11(13-12-15(10)7-8-17-12)14-5-3-1-2-4-6-14/h7-8,16H,1-6,9H2.
What are the key properties of [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 251.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 16779989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).