3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

C13H21N3S — CID 117148400

IUPAC3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2cnc(CC3CCSCC3)n2C1
InChIInChI=1S/C13H21N3S/c14-11-1-2-12-8-15-13(16(12)9-11)7-10-3-5-17-6-4-10/h8,10-11H,1-7,9,14H2
InChIKeySIJULACELGAQFP-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.84
Rot. Bonds2

About 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (PubChem CID 117148400) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
PubChem CID117148400
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2cnc(CC3CCSCC3)n2C1
InChIInChI=1S/C13H21N3S/c14-11-1-2-12-8-15-13(16(12)9-11)7-10-3-5-17-6-4-10/h8,10-11H,1-7,9,14H2
InChIKeySIJULACELGAQFP-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The IUPAC name of 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (CID 117148400) is 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The canonical SMILES for 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is NC1CCc2cnc(CC3CCSCC3)n2C1.
What is the InChIKey of 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The InChIKey is SIJULACELGAQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c14-11-1-2-12-8-15-13(16(12)9-11)7-10-3-5-17-6-4-10/h8,10-11H,1-7,9,14H2.
What are the key properties of 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine has a molecular weight of 251.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 117148400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).