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

C15H22N4S — CID 117163129

IUPACN,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCN(C)CCn1c(C2CCCCS2)nc2cccnc21
InChIInChI=1S/C15H22N4S/c1-18(2)9-10-19-14-12(6-5-8-16-14)17-15(19)13-7-3-4-11-20-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3
InChIKeyAFZROBBANPCUCQ-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.95
Rot. Bonds4

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

N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 117163129) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID117163129
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCN(C)CCn1c(C2CCCCS2)nc2cccnc21
InChIInChI=1S/C15H22N4S/c1-18(2)9-10-19-14-12(6-5-8-16-14)17-15(19)13-7-3-4-11-20-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3
InChIKeyAFZROBBANPCUCQ-UHFFFAOYSA-N
XLogP2.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 117163129) is N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine is CN(C)CCn1c(C2CCCCS2)nc2cccnc21.
What is the InChIKey of N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is AFZROBBANPCUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-18(2)9-10-19-14-12(6-5-8-16-14)17-15(19)13-7-3-4-11-20-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 290.44 g/mol, XLogP of 2.95, 4 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-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 117163129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).