3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol

C12H16N2OS — CID 138015531

IUPAC3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol
SMILESCC(O)C(C)SCc1cccn2ccnc12
InChIInChI=1S/C12H16N2OS/c1-9(15)10(2)16-8-11-4-3-6-14-7-5-13-12(11)14/h3-7,9-10,15H,8H2,1-2H3
InChIKeyUVCAINDLCLWKPZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.34
Rot. Bonds4

About 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol

3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol (PubChem CID 138015531) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol
PubChem CID138015531
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol
SMILESCC(O)C(C)SCc1cccn2ccnc12
InChIInChI=1S/C12H16N2OS/c1-9(15)10(2)16-8-11-4-3-6-14-7-5-13-12(11)14/h3-7,9-10,15H,8H2,1-2H3
InChIKeyUVCAINDLCLWKPZ-UHFFFAOYSA-N
XLogP2.34
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazo[1,2-a]pyridin-8-ylpropan-2-amine
CID 83865765
imidazo[1,2-a]pyridin-8-ylmethanamine
CID 18766910
N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutanamine
CID 70874720
3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide
CID 82147620
imidazo[1,2-a]pyridin-8-amine;hydrochloride
CID 118705200
3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol
CID 107771342
3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-2-ol
CID 107771016
imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol
CID 107771933
N-tert-butylimidazo[1,2-a]pyridin-8-amine
CID 139390352
N-imidazo[1,2-a]pyridin-8-ylbutanamide
CID 110735039
2-(imidazo[1,2-a]pyridin-8-yloxymethyl)benzoic acid
CID 82146579

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol (CID 138015531) is 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol is CC(O)C(C)SCc1cccn2ccnc12.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol?
The InChIKey is UVCAINDLCLWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(15)10(2)16-8-11-4-3-6-14-7-5-13-12(11)14/h3-7,9-10,15H,8H2,1-2H3.
What are the key properties of 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol?
3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol is sourced from PubChem (CID 138015531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).