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

C12H19N3S — CID 117148597

IUPAC3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2cnc(CC3CCCS3)n2C1
InChIInChI=1S/C12H19N3S/c13-9-3-4-10-7-14-12(15(10)8-9)6-11-2-1-5-16-11/h7,9,11H,1-6,8,13H2
InChIKeyNGIQUDIVUJUCRJ-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.59
Rot. Bonds2

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

3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (PubChem CID 117148597) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
PubChem CID117148597
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2cnc(CC3CCCS3)n2C1
InChIInChI=1S/C12H19N3S/c13-9-3-4-10-7-14-12(15(10)8-9)6-11-2-1-5-16-11/h7,9,11H,1-6,8,13H2
InChIKeyNGIQUDIVUJUCRJ-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148400
3-(thian-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117148653
3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148392
[3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149567
3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148215
[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine
CID 117140785
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148517
5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117141673
3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148496
3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148607
3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148345
3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 83639864

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The IUPAC name of 3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (CID 117148597) is 3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The canonical SMILES for 3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is NC1CCc2cnc(CC3CCCS3)n2C1.
What is the InChIKey of 3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The InChIKey is NGIQUDIVUJUCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c13-9-3-4-10-7-14-12(15(10)8-9)6-11-2-1-5-16-11/h7,9,11H,1-6,8,13H2.
What are the key properties of 3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine has a molecular weight of 237.37 g/mol, XLogP of 1.59, 2 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-6-amine is sourced from PubChem (CID 117148597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).