2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol

C13H20N2OS — CID 117155520

IUPAC2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol
SMILESOC1CCCc2nc(CC3CCCCS3)cn21
InChIInChI=1S/C13H20N2OS/c16-13-6-3-5-12-14-10(9-15(12)13)8-11-4-1-2-7-17-11/h9,11,13,16H,1-8H2
InChIKeyCISCFUQSFJBUEB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.54
Rot. Bonds2

About 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol

2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol (PubChem CID 117155520) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol.

Molecular Properties

Compound Name2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol
PubChem CID117155520
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol
SMILESOC1CCCc2nc(CC3CCCCS3)cn21
InChIInChI=1S/C13H20N2OS/c16-13-6-3-5-12-14-10(9-15(12)13)8-11-4-1-2-7-17-11/h9,11,13,16H,1-8H2
InChIKeyCISCFUQSFJBUEB-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol?
The IUPAC name of 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol (CID 117155520) is 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol.
What is the SMILES notation for 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol?
The canonical SMILES for 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol is OC1CCCc2nc(CC3CCCCS3)cn21.
What is the InChIKey of 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol?
The InChIKey is CISCFUQSFJBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c16-13-6-3-5-12-14-10(9-15(12)13)8-11-4-1-2-7-17-11/h9,11,13,16H,1-8H2.
What are the key properties of 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol?
2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol has a molecular weight of 252.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol is sourced from PubChem (CID 117155520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).