3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine

C15H16N4S — CID 56720665

IUPAC3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine
SMILESCc1cccnc1NCCn1ccnc1-c1ccsc1
InChIInChI=1S/C15H16N4S/c1-12-3-2-5-16-14(12)17-6-8-19-9-7-18-15(19)13-4-10-20-11-13/h2-5,7,9-11H,6,8H2,1H3,(H,16,17)
InChIKeyOURURTGCIDIIKK-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.43
Rot. Bonds5

About 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine

3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine (PubChem CID 56720665) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine
PubChem CID56720665
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine
SMILESCc1cccnc1NCCn1ccnc1-c1ccsc1
InChIInChI=1S/C15H16N4S/c1-12-3-2-5-16-14(12)17-6-8-19-9-7-18-15(19)13-4-10-20-11-13/h2-5,7,9-11H,6,8H2,1H3,(H,16,17)
InChIKeyOURURTGCIDIIKK-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine (CID 56720665) is 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine is Cc1cccnc1NCCn1ccnc1-c1ccsc1.
What is the InChIKey of 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine?
The InChIKey is OURURTGCIDIIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-12-3-2-5-16-14(12)17-6-8-19-9-7-18-15(19)13-4-10-20-11-13/h2-5,7,9-11H,6,8H2,1H3,(H,16,17).
What are the key properties of 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine?
3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 56720665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).