[3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol

C13H20N2OS — CID 117149567

IUPAC[3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
SMILESOCC1CCCc2cnc(CC3CCCS3)n21
InChIInChI=1S/C13H20N2OS/c16-9-11-4-1-3-10-8-14-13(15(10)11)7-12-5-2-6-17-12/h8,11-12,16H,1-7,9H2
InChIKeyLMRVUQRNXXVBKN-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.19
Rot. Bonds3

About [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol

[3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol (PubChem CID 117149567) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
PubChem CID117149567
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
SMILESOCC1CCCc2cnc(CC3CCCS3)n21
InChIInChI=1S/C13H20N2OS/c16-9-11-4-1-3-10-8-14-13(15(10)11)7-12-5-2-6-17-12/h8,11-12,16H,1-7,9H2
InChIKeyLMRVUQRNXXVBKN-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149507
[3-(pyrrolidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149499
[3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149733
[3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149591
[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149495
3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148597
[3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149458
[3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149610
3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117149866
[3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149714
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117150087
2-(3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83883889

Frequently Asked Questions

What is the IUPAC name of [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The IUPAC name of [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol (CID 117149567) is [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol.
What is the SMILES notation for [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The canonical SMILES for [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol is OCC1CCCc2cnc(CC3CCCS3)n21.
What is the InChIKey of [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The InChIKey is LMRVUQRNXXVBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c16-9-11-4-1-3-10-8-14-13(15(10)11)7-12-5-2-6-17-12/h8,11-12,16H,1-7,9H2.
What are the key properties of [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
[3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol has a molecular weight of 252.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117149567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).