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

C12H19N3S — CID 117155268

IUPAC2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
SMILESNC1CCCc2nc(CC3CCSC3)cn21
InChIInChI=1S/C12H19N3S/c13-11-2-1-3-12-14-10(7-15(11)12)6-9-4-5-16-8-9/h7,9,11H,1-6,8,13H2
InChIKeyNFLJDLBAKMOKQE-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.97
Rot. Bonds2

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

2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine (PubChem CID 117155268) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
PubChem CID117155268
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
SMILESNC1CCCc2nc(CC3CCSC3)cn21
InChIInChI=1S/C12H19N3S/c13-11-2-1-3-12-14-10(7-15(11)12)6-9-4-5-16-8-9/h7,9,11H,1-6,8,13H2
InChIKeyNFLJDLBAKMOKQE-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154692
2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
CID 117155709
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155313
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117153923
7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117156496
6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154248
3-(thian-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150156
[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129046
5-methyl-2-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117155315
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117155272
2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136074
6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117129093

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine?
The IUPAC name of 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine (CID 117155268) is 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine is NC1CCCc2nc(CC3CCSC3)cn21.
What is the InChIKey of 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine?
The InChIKey is NFLJDLBAKMOKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c13-11-2-1-3-12-14-10(7-15(11)12)6-9-4-5-16-8-9/h7,9,11H,1-6,8,13H2.
What are the key properties of 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine?
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine has a molecular weight of 237.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 117155268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).