8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C13H18N2O2S — CID 117249648

IUPAC8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCCn2c(C3CCSC3)nc(C(=O)O)c21
InChIInChI=1S/C13H18N2O2S/c1-8-3-2-5-15-11(8)10(13(16)17)14-12(15)9-4-6-18-7-9/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyCILTXJGJFNCXFC-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.70
Rot. Bonds2

About 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117249648) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117249648
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCCn2c(C3CCSC3)nc(C(=O)O)c21
InChIInChI=1S/C13H18N2O2S/c1-8-3-2-5-15-11(8)10(13(16)17)14-12(15)9-4-6-18-7-9/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyCILTXJGJFNCXFC-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249625
8-methyl-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249726
8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249728
1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249572
1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249714
8-amino-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250183
3-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250135
3-(1,1-dioxothian-4-yl)-8-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249700
8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152463
methyl 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248901
8-methyl-2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157791
3-cyclopropyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83837678

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117249648) is 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CC1CCCn2c(C3CCSC3)nc(C(=O)O)c21.
What is the InChIKey of 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is CILTXJGJFNCXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-3-2-5-15-11(8)10(13(16)17)14-12(15)9-4-6-18-7-9/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 266.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117249648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).