N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine

C14H20N4S — CID 83136947

IUPACN,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(CC3CCSCC3)nc2n1
InChIInChI=1S/C14H20N4S/c1-18(2)13-4-3-11-14(17-13)16-12(15-11)9-10-5-7-19-8-6-10/h3-4,10H,5-9H2,1-2H3,(H,15,16,17)
InChIKeyZANNJCLEZQFHFY-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.71
Rot. Bonds3

About N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine

N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 83136947) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID83136947
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(CC3CCSCC3)nc2n1
InChIInChI=1S/C14H20N4S/c1-18(2)13-4-3-11-14(17-13)16-12(15-11)9-10-5-7-19-8-6-10/h3-4,10H,5-9H2,1-2H3,(H,15,16,17)
InChIKeyZANNJCLEZQFHFY-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 83136947) is N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(CC3CCSCC3)nc2n1.
What is the InChIKey of N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is ZANNJCLEZQFHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-18(2)13-4-3-11-14(17-13)16-12(15-11)9-10-5-7-19-8-6-10/h3-4,10H,5-9H2,1-2H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 276.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 83136947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).