N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine

C15H22N4S — CID 117163560

IUPACN,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCN(C)CCn1c(CC2CCCS2)nc2cccnc21
InChIInChI=1S/C15H22N4S/c1-18(2)8-9-19-14(11-12-5-4-10-20-12)17-13-6-3-7-16-15(13)19/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKeyRGBIXVRIPDVEOE-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.43
Rot. Bonds5

About N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine

N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 117163560) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID117163560
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCN(C)CCn1c(CC2CCCS2)nc2cccnc21
InChIInChI=1S/C15H22N4S/c1-18(2)8-9-19-14(11-12-5-4-10-20-12)17-13-6-3-7-16-15(13)19/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKeyRGBIXVRIPDVEOE-UHFFFAOYSA-N
XLogP2.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117161453
2-[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 117163842
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117164109
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163261
3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163850
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970
3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163688
3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163720
3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164349

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 117163560) is N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine is CN(C)CCn1c(CC2CCCS2)nc2cccnc21.
What is the InChIKey of N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is RGBIXVRIPDVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-18(2)8-9-19-14(11-12-5-4-10-20-12)17-13-6-3-7-16-15(13)19/h3,6-7,12H,4-5,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 290.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 117163560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).